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

C13H10BrClN2O2 — CID 113343016

IUPAC6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)n2)cc1Cl
InChIInChI=1S/C13H10BrClN2O2/c1-19-11-6-5-8(7-9(11)15)16-13(18)10-3-2-4-12(14)17-10/h2-7H,1H3,(H,16,18)
InChIKeyJJRUFWBABCAOBZ-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.76
Rot. Bonds3

About 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide

6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 113343016) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID113343016
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)n2)cc1Cl
InChIInChI=1S/C13H10BrClN2O2/c1-19-11-6-5-8(7-9(11)15)16-13(18)10-3-2-4-12(14)17-10/h2-7H,1H3,(H,16,18)
InChIKeyJJRUFWBABCAOBZ-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

6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 103889781
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103875218
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098282

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide (CID 113343016) is 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cccc(Br)n2)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is JJRUFWBABCAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-19-11-6-5-8(7-9(11)15)16-13(18)10-3-2-4-12(14)17-10/h2-7H,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-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 6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113343016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).