2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine

C14H11FN4O — CID 166328999

IUPAC2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
SMILESCOc1ccc(-c2ncn(-c3ccccn3)n2)cc1F
InChIInChI=1S/C14H11FN4O/c1-20-12-6-5-10(8-11(12)15)14-17-9-19(18-14)13-4-2-3-7-16-13/h2-9H,1H3
InChIKeyOTESAVLMPAVJEV-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.48
Rot. Bonds3

About 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine

2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 166328999) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID166328999
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
SMILESCOc1ccc(-c2ncn(-c3ccccn3)n2)cc1F
InChIInChI=1S/C14H11FN4O/c1-20-12-6-5-10(8-11(12)15)14-17-9-19(18-14)13-4-2-3-7-16-13/h2-9H,1H3
InChIKeyOTESAVLMPAVJEV-UHFFFAOYSA-N
XLogP2.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine (CID 166328999) is 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine is COc1ccc(-c2ncn(-c3ccccn3)n2)cc1F.
What is the InChIKey of 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is OTESAVLMPAVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-20-12-6-5-10(8-11(12)15)14-17-9-19(18-14)13-4-2-3-7-16-13/h2-9H,1H3.
What are the key properties of 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 270.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 166328999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).