2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide

C15H11BrFN5O — CID 75401167

IUPAC2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2cc(Br)ncc2F)c1
InChIInChI=1S/C15H11BrFN5O/c1-22-8-19-21-14(22)9-3-2-4-10(5-9)20-15(23)11-6-13(16)18-7-12(11)17/h2-8H,1H3,(H,20,23)
InChIKeyRKVSILYUGPYHII-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.03
Rot. Bonds3

About 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide

2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 75401167) has the molecular formula C15H11BrFN5O and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID75401167
Molecular FormulaC15H11BrFN5O
Molecular Weight376.19 g/mol
Exact Mass375.01
IUPAC Name2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2cc(Br)ncc2F)c1
InChIInChI=1S/C15H11BrFN5O/c1-22-8-19-21-14(22)9-3-2-4-10(5-9)20-15(23)11-6-13(16)18-7-12(11)17/h2-8H,1H3,(H,20,23)
InChIKeyRKVSILYUGPYHII-UHFFFAOYSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-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

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 136577197
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
2-tert-butyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579100
4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 46431770
2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 78861771
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (CID 75401167) is 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is Cn1cnnc1-c1cccc(NC(=O)c2cc(Br)ncc2F)c1.
What is the InChIKey of 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is RKVSILYUGPYHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN5O/c1-22-8-19-21-14(22)9-3-2-4-10(5-9)20-15(23)11-6-13(16)18-7-12(11)17/h2-8H,1H3,(H,20,23).
What are the key properties of 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 376.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 75401167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).