4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C14H8F4N2O — CID 168586026

IUPAC4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(C(F)(F)F)c(F)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H8F4N2O/c1-7-4-9(10(6-19)13(21)20-7)8-2-3-11(12(15)5-8)14(16,17)18/h2-5H,1H3,(H,20,21)
InChIKeyVMAWABJPSSLKOR-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.38
Rot. Bonds1

About 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586026) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586026
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(C(F)(F)F)c(F)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H8F4N2O/c1-7-4-9(10(6-19)13(21)20-7)8-2-3-11(12(15)5-8)14(16,17)18/h2-5H,1H3,(H,20,21)
InChIKeyVMAWABJPSSLKOR-UHFFFAOYSA-N
XLogP3.38
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587395
4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585524
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
4-[6-fluoro-2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585510
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
6-methyl-2-oxo-4-[3-(trifluoromethyl)-1-benzothiophen-5-yl]-1H-pyridine-3-carbonitrile
CID 168585852
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[5-bromo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585446
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586080
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
4-[4-iodo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585845

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586026) is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(C(F)(F)F)c(F)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VMAWABJPSSLKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c1-7-4-9(10(6-19)13(21)20-7)8-2-3-11(12(15)5-8)14(16,17)18/h2-5H,1H3,(H,20,21).
What are the key properties of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.22 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).