6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C14H10Cl2N2O3 — CID 43453082

IUPAC6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c1-7-9(14(20)21)3-5-12(17-7)13(19)18-11-4-2-8(15)6-10(11)16/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyAVXJTLXKBDLFCN-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.65
Rot. Bonds3

About 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 43453082) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID43453082
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c1-7-9(14(20)21)3-5-12(17-7)13(19)18-11-4-2-8(15)6-10(11)16/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyAVXJTLXKBDLFCN-UHFFFAOYSA-N
XLogP3.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
6-[(2-bromo-5-chlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 81280144
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 104780403
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 43453082) is 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1C(=O)O.
What is the InChIKey of 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is AVXJTLXKBDLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-7-9(14(20)21)3-5-12(17-7)13(19)18-11-4-2-8(15)6-10(11)16/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 325.15 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 43453082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).