2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine

C15H13FN4O — CID 15957264

IUPAC2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine
SMILESCOc1ccc(F)c(-c2n[nH]c(-c3ncccc3C)n2)c1
InChIInChI=1S/C15H13FN4O/c1-9-4-3-7-17-13(9)15-18-14(19-20-15)11-8-10(21-2)5-6-12(11)16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyQGJZMOBKQLYZMZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.99
Rot. Bonds3

About 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine

2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine (PubChem CID 15957264) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine.

Molecular Properties

Compound Name2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine
PubChem CID15957264
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine
SMILESCOc1ccc(F)c(-c2n[nH]c(-c3ncccc3C)n2)c1
InChIInChI=1S/C15H13FN4O/c1-9-4-3-7-17-13(9)15-18-14(19-20-15)11-8-10(21-2)5-6-12(11)16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyQGJZMOBKQLYZMZ-UHFFFAOYSA-N
XLogP2.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine?
The IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine (CID 15957264) is 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine.
What is the SMILES notation for 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine?
The canonical SMILES for 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine is COc1ccc(F)c(-c2n[nH]c(-c3ncccc3C)n2)c1.
What is the InChIKey of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine?
The InChIKey is QGJZMOBKQLYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-9-4-3-7-17-13(9)15-18-14(19-20-15)11-8-10(21-2)5-6-12(11)16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine?
2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine has a molecular weight of 284.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-methylpyridine is sourced from PubChem (CID 15957264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).