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

C15H10ClF3N4 — CID 22744064

IUPAC3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
SMILESCn1nc(-c2ccccc2Cl)nc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N4/c1-23-14(10-8-20-7-6-11(10)15(17,18)19)21-13(22-23)9-4-2-3-5-12(9)16/h2-8H,1H3
InChIKeyRIWFBWVDTAHEQI-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.22
Rot. Bonds2

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

3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine (PubChem CID 22744064) has the molecular formula C15H10ClF3N4 and a molecular weight of 338.72 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
PubChem CID22744064
Molecular FormulaC15H10ClF3N4
Molecular Weight338.72 g/mol
Exact Mass338.05
IUPAC Name3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
SMILESCn1nc(-c2ccccc2Cl)nc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N4/c1-23-14(10-8-20-7-6-11(10)15(17,18)19)21-13(22-23)9-4-2-3-5-12(9)16/h2-8H,1H3
InChIKeyRIWFBWVDTAHEQI-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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine (CID 22744064) is 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine is Cn1nc(-c2ccccc2Cl)nc1-c1cnccc1C(F)(F)F.
What is the InChIKey of 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is RIWFBWVDTAHEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4/c1-23-14(10-8-20-7-6-11(10)15(17,18)19)21-13(22-23)9-4-2-3-5-12(9)16/h2-8H,1H3.
What are the key properties of 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine?
3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)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 3-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 22744064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).