AB82686
893723-63-2 | 2-(thiophen-3-yl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB82686
ChemicalName
2-(thiophen-3-yl)isonicotinic acid
CasNumber
893723-63-2
MolecularFormula
C16H13N3O2
MolecularWeight
279.2933
MdlNumber
MFCD06496474
Smiles
OC(=O)c1ccnc(c1)c1cnn(c1)Cc1ccccc1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB82686
ChemicalName: 2-(thiophen-3-yl)isonicotinic acid
CasNumber: 893723-63-2
MolecularFormula: C16H13N3O2
MolecularWeight: 279.2933
MdlNumber: MFCD06496474
Smiles: OC(=O)c1ccnc(c1)c1cnn(c1)Cc1ccccc1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB82686
ChemicalName:
2-(thiophen-3-yl)isonicotinic acid
CasNumber:
893723-63-2
MolecularFormula:
C16H13N3O2
MolecularWeight:
279.2933
MdlNumber:
MFCD06496474
Smiles:
OC(=O)c1ccnc(c1)c1cnn(c1)Cc1ccccc1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AB82688
ChemicalName: 5-Formylpyridine-3-carboxylic acid
CasNumber: 893723-55-2
MolecularFormula: C7H5NO3
MolecularWeight: 151.1195
MdlNumber: MFCD06254754
Smiles: O=Cc1cncc(c1)C(=O)O
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AB82688
ChemicalName:
5-Formylpyridine-3-carboxylic acid
CasNumber:
893723-55-2
MolecularFormula:
C7H5NO3
MolecularWeight:
151.1195
MdlNumber:
MFCD06254754
Smiles:
O=Cc1cncc(c1)C(=O)O
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
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Smiles: COc1ccc(cc1C(=O)O)C(=O)N
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Smiles:
COc1ccc(cc1C(=O)O)C(=O)N
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Smiles: OC(=O)CCc1ccc(cc1)c1ccc(cc1)Cl
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Smiles:
OC(=O)CCc1ccc(cc1)c1ccc(cc1)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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