3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C14H9BrFN5O — CID 22587050

IUPAC3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(-n2cnnc2)ccc1Br
InChIInChI=1S/C14H9BrFN5O/c15-11-5-6-12(21-7-17-18-8-21)20-13(11)14(22)19-10-3-1-9(16)2-4-10/h1-8H,(H,19,22)
InChIKeyLPIZZDRRPBCFQI-UHFFFAOYSA-N
MW362.16 g/mol
LogP2.82
Rot. Bonds3

About 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 22587050) has the molecular formula C14H9BrFN5O and a molecular weight of 362.16 g/mol. Its IUPAC name is 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID22587050
Molecular FormulaC14H9BrFN5O
Molecular Weight362.16 g/mol
Exact Mass361.00
IUPAC Name3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(-n2cnnc2)ccc1Br
InChIInChI=1S/C14H9BrFN5O/c15-11-5-6-12(21-7-17-18-8-21)20-13(11)14(22)19-10-3-1-9(16)2-4-10/h1-8H,(H,19,22)
InChIKeyLPIZZDRRPBCFQI-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-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

3-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587053
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 51701461
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 171133055
3-fluoro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 67086190
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide
CID 12025376
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
1-(4-chlorophenyl)-N,5-bis(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
CID 124786561
5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide
CID 99797834

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 22587050) is 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1nc(-n2cnnc2)ccc1Br.
What is the InChIKey of 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is LPIZZDRRPBCFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN5O/c15-11-5-6-12(21-7-17-18-8-21)20-13(11)14(22)19-10-3-1-9(16)2-4-10/h1-8H,(H,19,22).
What are the key properties of 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 362.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 22587050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).