6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

C14H11ClN2O4 — CID 43558305

IUPAC6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1Cl
InChIInChI=1S/C14H11ClN2O4/c1-21-12-6-5-8(7-9(12)15)16-13(18)10-3-2-4-11(17-10)14(19)20/h2-7H,1H3,(H,16,18)(H,19,20)
InChIKeyUWMSEFTUWGHHRB-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.69
Rot. Bonds4

About 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558305) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43558305
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1Cl
InChIInChI=1S/C14H11ClN2O4/c1-21-12-6-5-8(7-9(12)15)16-13(18)10-3-2-4-11(17-10)14(19)20/h2-7H,1H3,(H,16,18)(H,19,20)
InChIKeyUWMSEFTUWGHHRB-UHFFFAOYSA-N
XLogP2.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098282
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109099186
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43558305) is 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is COc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1Cl.
What is the InChIKey of 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UWMSEFTUWGHHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-12-6-5-8(7-9(12)15)16-13(18)10-3-2-4-11(17-10)14(19)20/h2-7H,1H3,(H,16,18)(H,19,20).
What are the key properties of 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).