1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C14H9F3N2O — CID 3746304

IUPAC1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)cc(C#N)c1=O
InChIInChI=1S/C14H9F3N2O/c1-19-8-11(5-10(7-18)13(19)20)9-3-2-4-12(6-9)14(15,16)17/h2-6,8H,1H3
InChIKeyRDCYFAKSVLWIFI-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.94
Rot. Bonds1

About 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 3746304) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID3746304
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)cc(C#N)c1=O
InChIInChI=1S/C14H9F3N2O/c1-19-8-11(5-10(7-18)13(19)20)9-3-2-4-12(6-9)14(15,16)17/h2-6,8H,1H3
InChIKeyRDCYFAKSVLWIFI-UHFFFAOYSA-N
XLogP2.94
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 3746304) is 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is Cn1cc(-c2cccc(C(F)(F)F)c2)cc(C#N)c1=O.
What is the InChIKey of 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is RDCYFAKSVLWIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-19-8-11(5-10(7-18)13(19)20)9-3-2-4-12(6-9)14(15,16)17/h2-6,8H,1H3.
What are the key properties of 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 278.23 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3746304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).