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

C11H10ClF3N4 — CID 166243584

IUPAC6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESCCc1ncn(Cc2ccc(Cl)nc2C(F)(F)F)n1
InChIInChI=1S/C11H10ClF3N4/c1-2-9-16-6-19(18-9)5-7-3-4-8(12)17-10(7)11(13,14)15/h3-4,6H,2,5H2,1H3
InChIKeyHMZPXSOZICZBTD-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.96
Rot. Bonds3

About 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine

6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine (PubChem CID 166243584) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine
PubChem CID166243584
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESCCc1ncn(Cc2ccc(Cl)nc2C(F)(F)F)n1
InChIInChI=1S/C11H10ClF3N4/c1-2-9-16-6-19(18-9)5-7-3-4-8(12)17-10(7)11(13,14)15/h3-4,6H,2,5H2,1H3
InChIKeyHMZPXSOZICZBTD-UHFFFAOYSA-N
XLogP2.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.96
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 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine (CID 166243584) is 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine is CCc1ncn(Cc2ccc(Cl)nc2C(F)(F)F)n1.
What is the InChIKey of 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is HMZPXSOZICZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c1-2-9-16-6-19(18-9)5-7-3-4-8(12)17-10(7)11(13,14)15/h3-4,6H,2,5H2,1H3.
What are the key properties of 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine?
6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 290.68 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 166243584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).