5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine

C14H11FN4O — CID 141098972

IUPAC5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2ncnc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN4O/c1-20-13-7-6-12(8-16-13)19-14(17-9-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyKWYNASJMERWSOV-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.48
Rot. Bonds3

About 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine

5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine (PubChem CID 141098972) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine
PubChem CID141098972
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2ncnc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN4O/c1-20-13-7-6-12(8-16-13)19-14(17-9-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyKWYNASJMERWSOV-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 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine?
The IUPAC name of 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine (CID 141098972) is 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine is COc1ccc(-n2ncnc2-c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine?
The InChIKey is KWYNASJMERWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-20-13-7-6-12(8-16-13)19-14(17-9-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3.
What are the key properties of 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine?
5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine 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 5-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine is sourced from PubChem (CID 141098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).