5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide

C13H10BrClN2O2 — CID 62001368

IUPAC5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H10BrClN2O2/c1-19-11-5-3-2-4-10(11)17-13(18)9-6-8(14)7-16-12(9)15/h2-7H,1H3,(H,17,18)
InChIKeyWFEKLBGMJGSEAX-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.76
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 62001368) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID62001368
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H10BrClN2O2/c1-19-11-5-3-2-4-10(11)17-13(18)9-6-8(14)7-16-12(9)15/h2-7H,1H3,(H,17,18)
InChIKeyWFEKLBGMJGSEAX-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

5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62001024
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237098
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103891998
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 62001368) is 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is WFEKLBGMJGSEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-19-11-5-3-2-4-10(11)17-13(18)9-6-8(14)7-16-12(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-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 5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62001368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).