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

C14H8F4N2O — CID 118973914

IUPAC6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(Oc2cccc(F)c2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H8F4N2O/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)21-10-4-2-3-9(15)5-10/h2-6H,1H3
InChIKeyNREQLIFVIBAKHA-UHFFFAOYSA-N
MW296.22 g/mol
LogP4.21
Rot. Bonds2

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

6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 118973914) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID118973914
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(Oc2cccc(F)c2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H8F4N2O/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)21-10-4-2-3-9(15)5-10/h2-6H,1H3
InChIKeyNREQLIFVIBAKHA-UHFFFAOYSA-N
XLogP4.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 147053435
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
tert-butyl 9-[3-cyano-6-(3-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 118960549
6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile
CID 130395946
6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162574758
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
CID 19895093
2-(3-fluorophenoxy)-6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130402978
ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile
CID 145013896
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 118973914) is 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nc(Oc2cccc(F)c2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NREQLIFVIBAKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c1-8-11(7-19)12(14(16,17)18)6-13(20-8)21-10-4-2-3-9(15)5-10/h2-6H,1H3.
What are the key properties of 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 296.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118973914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).