3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine

C15H13FN4O — CID 56701891

IUPAC3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCOc1ccc(F)c(-c2cc(C)cnc2-n2cnnc2)c1
InChIInChI=1S/C15H13FN4O/c1-10-5-13(12-6-11(21-2)3-4-14(12)16)15(17-7-10)20-8-18-19-9-20/h3-9H,1-2H3
InChIKeyVHMVXQSYMFYMSN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine

3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 56701891) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID56701891
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCOc1ccc(F)c(-c2cc(C)cnc2-n2cnnc2)c1
InChIInChI=1S/C15H13FN4O/c1-10-5-13(12-6-11(21-2)3-4-14(12)16)15(17-7-10)20-8-18-19-9-20/h3-9H,1-2H3
InChIKeyVHMVXQSYMFYMSN-UHFFFAOYSA-N
XLogP2.79
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine (CID 56701891) is 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine is COc1ccc(F)c(-c2cc(C)cnc2-n2cnnc2)c1.
What is the InChIKey of 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is VHMVXQSYMFYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-10-5-13(12-6-11(21-2)3-4-14(12)16)15(17-7-10)20-8-18-19-9-20/h3-9H,1-2H3.
What are the key properties of 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 284.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 56701891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).