2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine

C20H15FN4 — CID 15957206

IUPAC2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2nc(-c3ccc(-c4ccccc4)c(F)c3)n[nH]2)n1
InChIInChI=1S/C20H15FN4/c1-13-6-5-9-18(22-13)20-23-19(24-25-20)15-10-11-16(17(21)12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,23,24,25)
InChIKeyYJFFEOSDNSXVPA-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.65
Rot. Bonds3

About 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine

2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine (PubChem CID 15957206) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
PubChem CID15957206
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2nc(-c3ccc(-c4ccccc4)c(F)c3)n[nH]2)n1
InChIInChI=1S/C20H15FN4/c1-13-6-5-9-18(22-13)20-23-19(24-25-20)15-10-11-16(17(21)12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,23,24,25)
InChIKeyYJFFEOSDNSXVPA-UHFFFAOYSA-N
XLogP4.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine (CID 15957206) is 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine is Cc1cccc(-c2nc(-c3ccc(-c4ccccc4)c(F)c3)n[nH]2)n1.
What is the InChIKey of 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The InChIKey is YJFFEOSDNSXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c1-13-6-5-9-18(22-13)20-23-19(24-25-20)15-10-11-16(17(21)12-15)14-7-3-2-4-8-14/h2-12H,1H3,(H,23,24,25).
What are the key properties of 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine has a molecular weight of 330.37 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 15957206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).