AA17797
1171920-15-2 | 5-(Trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA17797
ChemicalName
5-(Trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CasNumber
1171920-15-2
MolecularFormula
C9H5F3N2O2
MolecularWeight
230.1434
MdlNumber
MFCD12922778
Smiles
OC(=O)c1c[nH]c2c1cc(cn2)C(F)(F)F
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AA17797
ChemicalName: 5-(Trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CasNumber: 1171920-15-2
MolecularFormula: C9H5F3N2O2
MolecularWeight: 230.1434
MdlNumber: MFCD12922778
Smiles: OC(=O)c1c[nH]c2c1cc(cn2)C(F)(F)F
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AA17797
ChemicalName:
5-(Trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CasNumber:
1171920-15-2
MolecularFormula:
C9H5F3N2O2
MolecularWeight:
230.1434
MdlNumber:
MFCD12922778
Smiles:
OC(=O)c1c[nH]c2c1cc(cn2)C(F)(F)F
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AA17798
ChemicalName: 6-Hydroxy-5-methoxynicotinic acid
CasNumber: 1171919-98-4
MolecularFormula: C7H7NO4
MolecularWeight: 169.13477999999995
MdlNumber: MFCD12401649
Smiles: COc1cc(cnc1O)C(=O)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AA17798
ChemicalName:
6-Hydroxy-5-methoxynicotinic acid
CasNumber:
1171919-98-4
MolecularFormula:
C7H7NO4
MolecularWeight:
169.13477999999995
MdlNumber:
MFCD12401649
Smiles:
COc1cc(cnc1O)C(=O)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.4
CatalogNumber: AA17799
ChemicalName: Methyl 3-(5,6-dimethoxypyridin-3-yl)acrylate
CasNumber: 1171919-91-7
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD12401640
Smiles: COC(=O)C=Cc1cnc(c(c1)OC)OC
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AA17799
ChemicalName:
Methyl 3-(5,6-dimethoxypyridin-3-yl)acrylate
CasNumber:
1171919-91-7
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD12401640
Smiles:
COC(=O)C=Cc1cnc(c(c1)OC)OC
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(CNC(=O)OC(C)(C)C)cnc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(CNC(=O)OC(C)(C)C)cnc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__