2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile

C9H4F6N2 — CID 118817542

IUPAC2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)c(C(F)(F)F)c(F)n1
InChIInChI=1S/C9H4F6N2/c10-7(11)5-3-4(1-2-16)17-8(12)6(5)9(13,14)15/h3,7H,1H2
InChIKeyADDLFTIGNWPPSU-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.24
Rot. Bonds2

About 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 118817542) has the molecular formula C9H4F6N2 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID118817542
Molecular FormulaC9H4F6N2
Molecular Weight254.13 g/mol
Exact Mass254.03
IUPAC Name2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)c(C(F)(F)F)c(F)n1
InChIInChI=1S/C9H4F6N2/c10-7(11)5-3-4(1-2-16)17-8(12)6(5)9(13,14)15/h3,7H,1H2
InChIKeyADDLFTIGNWPPSU-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-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

Related Compounds

2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104127
2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134672891
2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 119018233
2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130069314
2-[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118826099
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118828825
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 118817542) is 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1cc(C(F)F)c(C(F)(F)F)c(F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is ADDLFTIGNWPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2/c10-7(11)5-3-4(1-2-16)17-8(12)6(5)9(13,14)15/h3,7H,1H2.
What are the key properties of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 254.13 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118817542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).