AD86684
886365-46-4 | 5-Chloro-3-methylpyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD86684
ChemicalName
5-Chloro-3-methylpyridine-2-carboxylic acid
CasNumber
886365-46-4
MolecularFormula
C7H6ClNO2
MolecularWeight
171.581
MdlNumber
MFCD07375127
Smiles
Clc1cnc(c(c1)C)C(=O)O
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AD86684
ChemicalName: 5-Chloro-3-methylpyridine-2-carboxylic acid
CasNumber: 886365-46-4
MolecularFormula: C7H6ClNO2
MolecularWeight: 171.581
MdlNumber: MFCD07375127
Smiles: Clc1cnc(c(c1)C)C(=O)O
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AD86684
ChemicalName:
5-Chloro-3-methylpyridine-2-carboxylic acid
CasNumber:
886365-46-4
MolecularFormula:
C7H6ClNO2
MolecularWeight:
171.581
MdlNumber:
MFCD07375127
Smiles:
Clc1cnc(c(c1)C)C(=O)O
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cc(c2c1cccc2)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cc(c2c1cccc2)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(c1ccc(cc1)Br)N1CCC(C1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(c1ccc(cc1)Br)N1CCC(C1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD86688
ChemicalName: 5-Bromo-4-methyl-pyridine-2-carboxylic acid methyl ester
CasNumber: 886365-06-6
MolecularFormula: C8H8BrNO2
MolecularWeight: 230.05862000000002
MdlNumber: MFCD07375102
Smiles: Cc1cc(ncc1Br)C(=O)OC
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AD86688
ChemicalName:
5-Bromo-4-methyl-pyridine-2-carboxylic acid methyl ester
CasNumber:
886365-06-6
MolecularFormula:
C8H8BrNO2
MolecularWeight:
230.05862000000002
MdlNumber:
MFCD07375102
Smiles:
Cc1cc(ncc1Br)C(=O)OC
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.1