3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile

C14H8ClFN2O — CID 78908809

IUPAC3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C14H8ClFN2O/c15-10-4-3-5-11(16)13(10)14(19)9(8-17)12-6-1-2-7-18-12/h1-7,9H
InChIKeyNKLDGCCMMISRHC-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.36
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile

3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (PubChem CID 78908809) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
PubChem CID78908809
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C14H8ClFN2O/c15-10-4-3-5-11(16)13(10)14(19)9(8-17)12-6-1-2-7-18-12/h1-7,9H
InChIKeyNKLDGCCMMISRHC-UHFFFAOYSA-N
XLogP3.36
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (CID 78908809) is 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is N#CC(C(=O)c1c(F)cccc1Cl)c1ccccn1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The InChIKey is NKLDGCCMMISRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-10-4-3-5-11(16)13(10)14(19)9(8-17)12-6-1-2-7-18-12/h1-7,9H.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile has a molecular weight of 274.68 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 78908809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).