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

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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).