5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine

C13H10FN5O — CID 141138647

IUPAC5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ccc(-n2ncnc2-c2ccc(F)cn2)cn1
InChIInChI=1S/C13H10FN5O/c1-20-12-5-3-10(7-16-12)19-13(17-8-18-19)11-4-2-9(14)6-15-11/h2-8H,1H3
InChIKeyQZQSSIGYXIBNCZ-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.87
Rot. Bonds3

About 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine

5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 141138647) has the molecular formula C13H10FN5O and a molecular weight of 271.26 g/mol. Its IUPAC name is 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID141138647
Molecular FormulaC13H10FN5O
Molecular Weight271.26 g/mol
Exact Mass271.09
IUPAC Name5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ccc(-n2ncnc2-c2ccc(F)cn2)cn1
InChIInChI=1S/C13H10FN5O/c1-20-12-5-3-10(7-16-12)19-13(17-8-18-19)11-4-2-9(14)6-15-11/h2-8H,1H3
InChIKeyQZQSSIGYXIBNCZ-UHFFFAOYSA-N
XLogP1.87
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-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 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine (CID 141138647) is 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine is COc1ccc(-n2ncnc2-c2ccc(F)cn2)cn1.
What is the InChIKey of 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is QZQSSIGYXIBNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c1-20-12-5-3-10(7-16-12)19-13(17-8-18-19)11-4-2-9(14)6-15-11/h2-8H,1H3.
What are the key properties of 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine?
5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 271.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 141138647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).