2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide

C13H10BrClN2O2 — CID 103751745

IUPAC2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H10BrClN2O2/c1-19-11-3-2-9(15)7-10(11)17-13(18)8-4-5-16-12(14)6-8/h2-7H,1H3,(H,17,18)
InChIKeyVEELTFQBUPJMLH-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.76
Rot. Bonds3

About 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide

2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 103751745) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID103751745
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H10BrClN2O2/c1-19-11-3-2-9(15)7-10(11)17-13(18)8-4-5-16-12(14)6-8/h2-7H,1H3,(H,17,18)
InChIKeyVEELTFQBUPJMLH-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.76
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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Related Compounds

2-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 103754801
2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
CID 103754736
N-(5-chloro-2-methoxyphenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176387
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175912
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109177830

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide (CID 103751745) is 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is VEELTFQBUPJMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-19-11-3-2-9(15)7-10(11)17-13(18)8-4-5-16-12(14)6-8/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide?
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 341.59 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103751745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).