2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile

C14H7ClF4N2O — CID 15457067

IUPAC2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile
SMILESCn1c(C(F)(F)F)ccc(-c2cc(C#N)c(Cl)cc2F)c1=O
InChIInChI=1S/C14H7ClF4N2O/c1-21-12(14(17,18)19)3-2-8(13(21)22)9-4-7(6-20)10(15)5-11(9)16/h2-5H,1H3
InChIKeyWNUGPMYUKAZPOR-UHFFFAOYSA-N
MW330.67 g/mol
LogP3.74
Rot. Bonds1

About 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile

2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile (PubChem CID 15457067) has the molecular formula C14H7ClF4N2O and a molecular weight of 330.67 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile
PubChem CID15457067
Molecular FormulaC14H7ClF4N2O
Molecular Weight330.67 g/mol
Exact Mass330.02
IUPAC Name2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile
SMILESCn1c(C(F)(F)F)ccc(-c2cc(C#N)c(Cl)cc2F)c1=O
InChIInChI=1S/C14H7ClF4N2O/c1-21-12(14(17,18)19)3-2-8(13(21)22)9-4-7(6-20)10(15)5-11(9)16/h2-5H,1H3
InChIKeyWNUGPMYUKAZPOR-UHFFFAOYSA-N
XLogP3.74
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.67
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile (CID 15457067) is 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile is Cn1c(C(F)(F)F)ccc(-c2cc(C#N)c(Cl)cc2F)c1=O.
What is the InChIKey of 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile?
The InChIKey is WNUGPMYUKAZPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N2O/c1-21-12(14(17,18)19)3-2-8(13(21)22)9-4-7(6-20)10(15)5-11(9)16/h2-5H,1H3.
What are the key properties of 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile?
2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile has a molecular weight of 330.67 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 15457067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).