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

C13H9BrClFN2O2 — CID 114839248

IUPAC5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cnc2Cl)ccc1F
InChIInChI=1S/C13H9BrClFN2O2/c1-20-11-5-8(2-3-10(11)16)18-13(19)9-4-7(14)6-17-12(9)15/h2-6H,1H3,(H,18,19)
InChIKeyUBHDTXQWXUPRPJ-UHFFFAOYSA-N
MW359.58 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 114839248) has the molecular formula C13H9BrClFN2O2 and a molecular weight of 359.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID114839248
Molecular FormulaC13H9BrClFN2O2
Molecular Weight359.58 g/mol
Exact Mass357.95
IUPAC Name5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cnc2Cl)ccc1F
InChIInChI=1S/C13H9BrClFN2O2/c1-20-11-5-8(2-3-10(11)16)18-13(19)9-4-7(14)6-17-12(9)15/h2-6H,1H3,(H,18,19)
InChIKeyUBHDTXQWXUPRPJ-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 105285229
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
5-chloro-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924828
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
CID 82818718
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide (CID 114839248) is 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cc(Br)cnc2Cl)ccc1F.
What is the InChIKey of 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is UBHDTXQWXUPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O2/c1-20-11-5-8(2-3-10(11)16)18-13(19)9-4-7(14)6-17-12(9)15/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 359.58 g/mol, XLogP of 3.90, 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-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 114839248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).