3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C14H12FN3O — CID 117138056

IUPAC3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C14H12FN3O/c1-19-12-5-6-13-16-17-14(18(13)9-12)8-10-3-2-4-11(15)7-10/h2-7,9H,8H2,1H3
InChIKeyRATLIONCNDROBS-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.47
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138056) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138056
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C14H12FN3O/c1-19-12-5-6-13-16-17-14(18(13)9-12)8-10-3-2-4-11(15)7-10/h2-7,9H,8H2,1H3
InChIKeyRATLIONCNDROBS-UHFFFAOYSA-N
XLogP2.47
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117138056) is 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc2nnc(Cc3cccc(F)c3)n2c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RATLIONCNDROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-12-5-6-13-16-17-14(18(13)9-12)8-10-3-2-4-11(15)7-10/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 257.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).