AA02608
1005009-98-2 | 6-(Methylamino)-3-pyridinyl boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA02608
ChemicalName
6-(Methylamino)-3-pyridinyl boronic acid pinacol ester
CasNumber
1005009-98-2
MolecularFormula
C12H19BN2O2
MolecularWeight
234.1025
MdlNumber
MFCD11878220
Smiles
CNc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA02608
ChemicalName: 6-(Methylamino)-3-pyridinyl boronic acid pinacol ester
CasNumber: 1005009-98-2
MolecularFormula: C12H19BN2O2
MolecularWeight: 234.1025
MdlNumber: MFCD11878220
Smiles: CNc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA02608
ChemicalName:
6-(Methylamino)-3-pyridinyl boronic acid pinacol ester
CasNumber:
1005009-98-2
MolecularFormula:
C12H19BN2O2
MolecularWeight:
234.1025
MdlNumber:
MFCD11878220
Smiles:
CNc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cn1)c1ccc2c(c1)c(Cl)ncn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cn1)c1ccc2c(c1)c(Cl)ncn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=S)N(C1(C=Cc2c([C@@H]1c1cccc3c1cccc3)cccc2)N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=S)N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=S)N(C1(C=Cc2c([C@@H]1c1cccc3c1cccc3)cccc2)N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=S)N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA02611
ChemicalName: Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
CasNumber: 100501-62-0
MolecularFormula: C14H12F3NO3
MolecularWeight: 299.2452
MdlNumber: MFCD00276022
Smiles: CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2F)F)F
Complexity: 468
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 4
CatalogNumber:
AA02611
ChemicalName:
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
CasNumber:
100501-62-0
MolecularFormula:
C14H12F3NO3
MolecularWeight:
299.2452
MdlNumber:
MFCD00276022
Smiles:
CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2F)F)F
Complexity:
468
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
4