AB45357
43200-81-3 | 6-(5-Chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one
Manufacturer: A2B Chem
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CatalogNumber
AB45357
ChemicalName
6-(5-Chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one
CasNumber
43200-81-3
MolecularFormula
C11H7ClN4O2
MolecularWeight
262.6519
MdlNumber
MFCD02684321
Smiles
Clc1ccc(nc1)N1C(O)c2c(C1=O)nccn2
Complexity
343
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.1
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CatalogNumber: AB45357
ChemicalName: 6-(5-Chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one
CasNumber: 43200-81-3
MolecularFormula: C11H7ClN4O2
MolecularWeight: 262.6519
MdlNumber: MFCD02684321
Smiles: Clc1ccc(nc1)N1C(O)c2c(C1=O)nccn2
Complexity: 343
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.1
CatalogNumber:
AB45357
ChemicalName:
6-(5-Chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one
CasNumber:
43200-81-3
MolecularFormula:
C11H7ClN4O2
MolecularWeight:
262.6519
MdlNumber:
MFCD02684321
Smiles:
Clc1ccc(nc1)N1C(O)c2c(C1=O)nccn2
Complexity:
343
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.1
CatalogNumber: AB45358
ChemicalName: 6-(tert-Butoxycarbonylamino)-1-hexanol
CasNumber: 75937-12-1
MolecularFormula: C11H23NO3
MolecularWeight: 217.3052
MdlNumber: MFCD01862954
Smiles: OCCCCCCNC(=O)OC(C)(C)C
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 8
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AB45358
ChemicalName:
6-(tert-Butoxycarbonylamino)-1-hexanol
CasNumber:
75937-12-1
MolecularFormula:
C11H23NO3
MolecularWeight:
217.3052
MdlNumber:
MFCD01862954
Smiles:
OCCCCCCNC(=O)OC(C)(C)C
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: AB45359
ChemicalName: 6-(Trifluoromethyl)pyridine-3-carboxaldehyde
CasNumber: 386704-12-7
MolecularFormula: C7H4F3NO
MolecularWeight: 175.108
MdlNumber: MFCD01862647
Smiles: O=Cc1ccc(nc1)C(F)(F)F
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AB45359
ChemicalName:
6-(Trifluoromethyl)pyridine-3-carboxaldehyde
CasNumber:
386704-12-7
MolecularFormula:
C7H4F3NO
MolecularWeight:
175.108
MdlNumber:
MFCD01862647
Smiles:
O=Cc1ccc(nc1)C(F)(F)F
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: AB45360
ChemicalName: 6,10-Dioxaspiro[4.5]decane-7,9-dione
CasNumber: 58093-05-3
MolecularFormula: C8H10O4
MolecularWeight: 170.1626
MdlNumber: MFCD01617888
Smiles: O=C1CC(=O)OC2(O1)CCCC2
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AB45360
ChemicalName:
6,10-Dioxaspiro[4.5]decane-7,9-dione
CasNumber:
58093-05-3
MolecularFormula:
C8H10O4
MolecularWeight:
170.1626
MdlNumber:
MFCD01617888
Smiles:
O=C1CC(=O)OC2(O1)CCCC2
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1