2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide

C12H9ClN2O2 — CID 1211386

IUPAC2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1O)c1cccnc1Cl
InChIInChI=1S/C12H9ClN2O2/c13-11-8(4-3-7-14-11)12(17)15-9-5-1-2-6-10(9)16/h1-7,16H,(H,15,17)
InChIKeyBGPHHUWYPVJKBY-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide

2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 1211386) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID1211386
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1O)c1cccnc1Cl
InChIInChI=1S/C12H9ClN2O2/c13-11-8(4-3-7-14-11)12(17)15-9-5-1-2-6-10(9)16/h1-7,16H,(H,15,17)
InChIKeyBGPHHUWYPVJKBY-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.69
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-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide (CID 1211386) is 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is BGPHHUWYPVJKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-11-8(4-3-7-14-11)12(17)15-9-5-1-2-6-10(9)16/h1-7,16H,(H,15,17).
What are the key properties of 2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide?
2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 2.69, 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-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1211386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).