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

C13H11ClN2O2 — CID 113290191

IUPAC4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccn2)cc1O
InChIInChI=1S/C13H11ClN2O2/c1-8-2-3-10(7-12(8)17)16-13(18)11-6-9(14)4-5-15-11/h2-7,17H,1H3,(H,16,18)
InChIKeyNAAWUOPJTYBLJN-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.00
Rot. Bonds2

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

4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide (PubChem CID 113290191) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
PubChem CID113290191
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccn2)cc1O
InChIInChI=1S/C13H11ClN2O2/c1-8-2-3-10(7-12(8)17)16-13(18)11-6-9(14)4-5-15-11/h2-7,17H,1H3,(H,16,18)
InChIKeyNAAWUOPJTYBLJN-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide (CID 113290191) is 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1O.
What is the InChIKey of 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is NAAWUOPJTYBLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-2-3-10(7-12(8)17)16-13(18)11-6-9(14)4-5-15-11/h2-7,17H,1H3,(H,16,18).
What are the key properties of 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide?
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-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 4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113290191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).