2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile

C14H9F4N3 — CID 63037715

IUPAC2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2F)n1
InChIInChI=1S/C14H9F4N3/c1-8-2-3-9(7-19)13(20-8)21-12-6-10(14(16,17)18)4-5-11(12)15/h2-6H,1H3,(H,20,21)
InChIKeyRGKBWPLJLATKNG-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.16
Rot. Bonds2

About 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile

2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile (PubChem CID 63037715) has the molecular formula C14H9F4N3 and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile
PubChem CID63037715
Molecular FormulaC14H9F4N3
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2F)n1
InChIInChI=1S/C14H9F4N3/c1-8-2-3-9(7-19)13(20-8)21-12-6-10(14(16,17)18)4-5-11(12)15/h2-6H,1H3,(H,20,21)
InChIKeyRGKBWPLJLATKNG-UHFFFAOYSA-N
XLogP4.16
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile (CID 63037715) is 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2F)n1.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile?
The InChIKey is RGKBWPLJLATKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3/c1-8-2-3-9(7-19)13(20-8)21-12-6-10(14(16,17)18)4-5-11(12)15/h2-6H,1H3,(H,20,21).
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile?
2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile has a molecular weight of 295.24 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 63037715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).