AB69893
5006-66-6 | 6-Oxo-1,6-dihydropyridine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69893
ChemicalName
6-Oxo-1,6-dihydropyridine-3-carboxylic acid
CasNumber
5006-66-6
MolecularFormula
C6H5NO3
MolecularWeight
139.1088
MdlNumber
MFCD00006277
Smiles
OC(=O)c1ccc(=O)[nH]c1
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AB69893
ChemicalName: 6-Oxo-1,6-dihydropyridine-3-carboxylic acid
CasNumber: 5006-66-6
MolecularFormula: C6H5NO3
MolecularWeight: 139.1088
MdlNumber: MFCD00006277
Smiles: OC(=O)c1ccc(=O)[nH]c1
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AB69893
ChemicalName:
6-Oxo-1,6-dihydropyridine-3-carboxylic acid
CasNumber:
5006-66-6
MolecularFormula:
C6H5NO3
MolecularWeight:
139.1088
MdlNumber:
MFCD00006277
Smiles:
OC(=O)c1ccc(=O)[nH]c1
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.5
CatalogNumber: AB69895
ChemicalName: Indazole-6-boronic acid
CasNumber: 885068-10-0
MolecularFormula: C7H7BN2O2
MolecularWeight: 161.9537
MdlNumber: MFCD04972419
Smiles: OB(c1ccc2c(c1)[nH]nc2)O
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB69895
ChemicalName:
Indazole-6-boronic acid
CasNumber:
885068-10-0
MolecularFormula:
C7H7BN2O2
MolecularWeight:
161.9537
MdlNumber:
MFCD04972419
Smiles:
OB(c1ccc2c(c1)[nH]nc2)O
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB69896
ChemicalName: 6-Iodo-[1,2,4]triazolo[1,5-a]pyridine
CasNumber: 614750-84-4
MolecularFormula: C6H4IN3
MolecularWeight: 245.0205
MdlNumber: MFCD06797552
Smiles: Ic1ccc2n(c1)ncn2
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AB69896
ChemicalName:
6-Iodo-[1,2,4]triazolo[1,5-a]pyridine
CasNumber:
614750-84-4
MolecularFormula:
C6H4IN3
MolecularWeight:
245.0205
MdlNumber:
MFCD06797552
Smiles:
Ic1ccc2n(c1)ncn2
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc2c(c1)OCCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc2c(c1)OCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__