2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H11ClN2O4 — CID 63614444

IUPAC2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(NC(=O)c2ncccc2C(=O)O)c1
InChIInChI=1S/C14H11ClN2O4/c1-21-8-4-5-10(15)11(7-8)17-13(18)12-9(14(19)20)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyRYTPABGPHMAGRT-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.69
Rot. Bonds4

About 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614444) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63614444
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(NC(=O)c2ncccc2C(=O)O)c1
InChIInChI=1S/C14H11ClN2O4/c1-21-8-4-5-10(15)11(7-8)17-13(18)12-9(14(19)20)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyRYTPABGPHMAGRT-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

2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55143825
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 63614444) is 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is COc1ccc(Cl)c(NC(=O)c2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is RYTPABGPHMAGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-8-4-5-10(15)11(7-8)17-13(18)12-9(14(19)20)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-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 2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).