AB68560
1186663-48-8 | 5-(Methylsulfonyl)-2-pyridinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68560
ChemicalName
5-(Methylsulfonyl)-2-pyridinecarboxylic acid
CasNumber
1186663-48-8
MolecularFormula
C7H7NO4S
MolecularWeight
201.1998
MdlNumber
MFCD12828706
Smiles
OC(=O)c1ccc(cn1)S(=O)(=O)C
Complexity
292
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AB68560
ChemicalName: 5-(Methylsulfonyl)-2-pyridinecarboxylic acid
CasNumber: 1186663-48-8
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD12828706
Smiles: OC(=O)c1ccc(cn1)S(=O)(=O)C
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB68560
ChemicalName:
5-(Methylsulfonyl)-2-pyridinecarboxylic acid
CasNumber:
1186663-48-8
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD12828706
Smiles:
OC(=O)c1ccc(cn1)S(=O)(=O)C
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AB68561
ChemicalName: 5-(Methylsulfonyl)nicotinic acid
CasNumber: 893723-59-6
MolecularFormula: C7H7NO4S
MolecularWeight: 201.19978
MdlNumber: MFCD06254799
Smiles: OC(=O)c1cncc(c1)S(=O)(=O)C
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AB68561
ChemicalName:
5-(Methylsulfonyl)nicotinic acid
CasNumber:
893723-59-6
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.19978
MdlNumber:
MFCD06254799
Smiles:
OC(=O)c1cncc(c1)S(=O)(=O)C
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.4
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Smiles: Clc1ncnc(c1c1ccccc1)Cl
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Smiles:
Clc1ncnc(c1c1ccccc1)Cl
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1NC(=O)C(N1)(c1ccc(cc1)C)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1NC(=O)C(N1)(c1ccc(cc1)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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