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

C13H11ClN2O2 — CID 840301

IUPAC2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c1-18-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyNGPGZYZITIPWRZ-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.00
Rot. Bonds3

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

2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 840301) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID840301
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c1-18-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyNGPGZYZITIPWRZ-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 840301) is 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is NGPGZYZITIPWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 840301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).