2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine

C15H10ClF3N4 — CID 23180236

IUPAC2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine
SMILESCn1nc(-c2ccnc(Cl)c2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N4/c1-23-14(10-4-2-3-5-11(10)15(17,18)19)21-13(22-23)9-6-7-20-12(16)8-9/h2-8H,1H3
InChIKeyFKVMOHUXHOXLTO-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.22
Rot. Bonds2

About 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine

2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 23180236) has the molecular formula C15H10ClF3N4 and a molecular weight of 338.72 g/mol. Its IUPAC name is 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine
PubChem CID23180236
Molecular FormulaC15H10ClF3N4
Molecular Weight338.72 g/mol
Exact Mass338.05
IUPAC Name2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine
SMILESCn1nc(-c2ccnc(Cl)c2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N4/c1-23-14(10-4-2-3-5-11(10)15(17,18)19)21-13(22-23)9-6-7-20-12(16)8-9/h2-8H,1H3
InChIKeyFKVMOHUXHOXLTO-UHFFFAOYSA-N
XLogP4.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine (CID 23180236) is 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine is Cn1nc(-c2ccnc(Cl)c2)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is FKVMOHUXHOXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4/c1-23-14(10-4-2-3-5-11(10)15(17,18)19)21-13(22-23)9-6-7-20-12(16)8-9/h2-8H,1H3.
What are the key properties of 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine?
2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 338.72 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 23180236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).