2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile

C13H8F2N2O2 — CID 14836998

IUPAC2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(F)c(Oc2ccccc2)c(F)c1=O
InChIInChI=1S/C13H8F2N2O2/c14-10-8-17(7-6-16)13(18)11(15)12(10)19-9-4-2-1-3-5-9/h1-5,8H,7H2
InChIKeyPPXZYAMJUMBNQX-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.44
Rot. Bonds3

About 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile

2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile (PubChem CID 14836998) has the molecular formula C13H8F2N2O2 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile
PubChem CID14836998
Molecular FormulaC13H8F2N2O2
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(F)c(Oc2ccccc2)c(F)c1=O
InChIInChI=1S/C13H8F2N2O2/c14-10-8-17(7-6-16)13(18)11(15)12(10)19-9-4-2-1-3-5-9/h1-5,8H,7H2
InChIKeyPPXZYAMJUMBNQX-UHFFFAOYSA-N
XLogP2.44
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile (CID 14836998) is 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile is N#CCn1cc(F)c(Oc2ccccc2)c(F)c1=O.
What is the InChIKey of 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile?
The InChIKey is PPXZYAMJUMBNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2/c14-10-8-17(7-6-16)13(18)11(15)12(10)19-9-4-2-1-3-5-9/h1-5,8H,7H2.
What are the key properties of 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile?
2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile has a molecular weight of 262.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-oxo-4-phenoxy-1-pyridinyl)acetonitrile is sourced from PubChem (CID 14836998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).