6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C14H8F4N2 — CID 11097920

IUPAC6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H8F4N2/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)9-2-4-10(15)5-3-9/h2-6H,1H3
InChIKeyFCNPOEWNUPALHX-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.09
Rot. Bonds1

About 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11097920) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11097920
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H8F4N2/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)9-2-4-10(15)5-3-9/h2-6H,1H3
InChIKeyFCNPOEWNUPALHX-UHFFFAOYSA-N
XLogP4.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,3-benzodioxol-5-yl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2110872
4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 145160538
6-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4096555
methyl 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 4778337
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355
6-(4-bromophenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4737312
6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162574758
6-(4-chlorophenyl)-2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4271562
6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 118973914
2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87895153
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
CID 10913190

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11097920) is 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FCNPOEWNUPALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)9-2-4-10(15)5-3-9/h2-6H,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 280.22 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11097920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).