4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile

C7HF5N2O — CID 133096108

IUPAC4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(F)c1F
InChIInChI=1S/C7HF5N2O/c8-4-3(1-13)2-14-6(5(4)9)15-7(10,11)12/h2H
InChIKeyFCRKMJKPWFSVBR-UHFFFAOYSA-N
MW224.09 g/mol
LogP2.13
Rot. Bonds1

About 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile

4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133096108) has the molecular formula C7HF5N2O and a molecular weight of 224.09 g/mol. Its IUPAC name is 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133096108
Molecular FormulaC7HF5N2O
Molecular Weight224.09 g/mol
Exact Mass224.00
IUPAC Name4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(F)c1F
InChIInChI=1S/C7HF5N2O/c8-4-3(1-13)2-14-6(5(4)9)15-7(10,11)12/h2H
InChIKeyFCRKMJKPWFSVBR-UHFFFAOYSA-N
XLogP2.13
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4,5-dimethoxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096110
5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095321
2-[3-fluoro-5-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 134659507
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
methyl 4-amino-5-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133097092
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091817
4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
CID 118800275
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133096108) is 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(OC(F)(F)F)c(F)c1F.
What is the InChIKey of 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is FCRKMJKPWFSVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF5N2O/c8-4-3(1-13)2-14-6(5(4)9)15-7(10,11)12/h2H.
What are the key properties of 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 224.09 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133096108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).