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

C14H11ClN2O3 — CID 43427229

IUPAC6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H11ClN2O3/c1-8-6-10(15)3-5-11(8)17-13(18)12-4-2-9(7-16-12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyVZEAGFRNZRBPAD-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

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

6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43427229) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43427229
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H11ClN2O3/c1-8-6-10(15)3-5-11(8)17-13(18)12-4-2-9(7-16-12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyVZEAGFRNZRBPAD-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109263001
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 154778714

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 43427229) is 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is VZEAGFRNZRBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-6-10(15)3-5-11(8)17-13(18)12-4-2-9(7-16-12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 290.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43427229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).