3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine

C8H4ClF3N4 — CID 5204876

IUPAC3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-n2cncn2)c(Cl)c1
InChIInChI=1S/C8H4ClF3N4/c9-6-1-5(8(10,11)12)2-14-7(6)16-4-13-3-15-16/h1-4H
InChIKeyTWAIJPDVWWJJME-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine

3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 5204876) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID5204876
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-n2cncn2)c(Cl)c1
InChIInChI=1S/C8H4ClF3N4/c9-6-1-5(8(10,11)12)2-14-7(6)16-4-13-3-15-16/h1-4H
InChIKeyTWAIJPDVWWJJME-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine 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

2-(1,2,4-Triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 2744602
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3386297
8-Chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
CID 3805723
3,5-Dichloro-2-(triazol-1-yl)-4-(trifluoromethyl)pyridine
CID 146438049
3-chloro-2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 671586
8-Chloro-3-(difluoromethyl)-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
CID 1489122
N'-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanimidamide
CID 9581804
8-Chloro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705283
8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 1483826
2-(1,2,4-Triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 2744601
3-Chloro-2-(1-methylhydrazinyl)-5-(trifluoromethyl)pyridine
CID 2736703
6-chloro-4-(difluoromethyl)-2-methyl-2H-pyrazolo[3,4-b]pyridine
CID 25248227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (CID 5204876) is 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(-n2cncn2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is TWAIJPDVWWJJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-6-1-5(8(10,11)12)2-14-7(6)16-4-13-3-15-16/h1-4H.
What are the key properties of 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 248.60 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 5204876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).