2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide

C13H11ClN2O2 — CID 47360946

IUPAC2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C13H11ClN2O2/c1-8-2-3-11(17)10(6-8)16-13(18)9-4-5-15-12(14)7-9/h2-7,17H,1H3,(H,16,18)
InChIKeyBQHCZZSPBJZRNT-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide

2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide (PubChem CID 47360946) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
PubChem CID47360946
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C13H11ClN2O2/c1-8-2-3-11(17)10(6-8)16-13(18)9-4-5-15-12(14)7-9/h2-7,17H,1H3,(H,16,18)
InChIKeyBQHCZZSPBJZRNT-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide (CID 47360946) is 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide is Cc1ccc(O)c(NC(=O)c2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
The InChIKey is BQHCZZSPBJZRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-2-3-11(17)10(6-8)16-13(18)9-4-5-15-12(14)7-9/h2-7,17H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 47360946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).