3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C13H10FN3O — CID 117143156

IUPAC3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C13H10FN3O/c1-18-11-6-7-17-12(8-11)15-16-13(17)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKeyLFTKQHTXMDSQBP-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.54
Rot. Bonds2

About 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117143156) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117143156
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C13H10FN3O/c1-18-11-6-7-17-12(8-11)15-16-13(17)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKeyLFTKQHTXMDSQBP-UHFFFAOYSA-N
XLogP2.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117143156) is 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine is COc1ccn2c(-c3ccc(F)cc3)nnc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LFTKQHTXMDSQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-18-11-6-7-17-12(8-11)15-16-13(17)9-2-4-10(14)5-3-9/h2-8H,1H3.
What are the key properties of 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 243.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117143156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).