2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide

C13H11ClN2O3 — CID 60693051

IUPAC2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Cl)c2)cc1O
InChIInChI=1S/C13H11ClN2O3/c1-19-11-3-2-9(7-10(11)17)16-13(18)8-4-5-15-12(14)6-8/h2-7,17H,1H3,(H,16,18)
InChIKeyHBAYIFSTGJJFSI-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide

2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 60693051) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID60693051
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Cl)c2)cc1O
InChIInChI=1S/C13H11ClN2O3/c1-19-11-3-2-9(7-10(11)17)16-13(18)8-4-5-15-12(14)6-8/h2-7,17H,1H3,(H,16,18)
InChIKeyHBAYIFSTGJJFSI-UHFFFAOYSA-N
XLogP2.70
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 66465082
4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide (CID 60693051) is 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Cl)c2)cc1O.
What is the InChIKey of 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is HBAYIFSTGJJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-19-11-3-2-9(7-10(11)17)16-13(18)8-4-5-15-12(14)6-8/h2-7,17H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide?
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 60693051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).