5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile

C8H2F6N2 — CID 134675768

IUPAC5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H2F6N2/c9-6(10)3-1-4(8(12,13)14)5(2-15)16-7(3)11/h1,6H
InChIKeyIAQHRCZKGRDYHV-UHFFFAOYSA-N
MW240.11 g/mol
LogP3.05
Rot. Bonds1

About 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile

5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 134675768) has the molecular formula C8H2F6N2 and a molecular weight of 240.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID134675768
Molecular FormulaC8H2F6N2
Molecular Weight240.11 g/mol
Exact Mass240.01
IUPAC Name5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H2F6N2/c9-6(10)3-1-4(8(12,13)14)5(2-15)16-7(3)11/h1,6H
InChIKeyIAQHRCZKGRDYHV-UHFFFAOYSA-N
XLogP3.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134685020
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
CID 133105630
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119020295
4-(difluoromethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 119011408
6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077423
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 134675768) is 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(F)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is IAQHRCZKGRDYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6N2/c9-6(10)3-1-4(8(12,13)14)5(2-15)16-7(3)11/h1,6H.
What are the key properties of 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile?
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 240.11 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134675768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).