2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C8H2ClF5N2 — CID 130071216

IUPAC2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H2ClF5N2/c9-6-4(2-15)3(7(10)11)1-5(16-6)8(12,13)14/h1,7H
InChIKeyCAIOEXQMJODFBC-UHFFFAOYSA-N
MW256.56 g/mol
LogP3.56
Rot. Bonds1

About 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 130071216) has the molecular formula C8H2ClF5N2 and a molecular weight of 256.56 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID130071216
Molecular FormulaC8H2ClF5N2
Molecular Weight256.56 g/mol
Exact Mass255.98
IUPAC Name2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H2ClF5N2/c9-6-4(2-15)3(7(10)11)1-5(16-6)8(12,13)14/h1,7H
InChIKeyCAIOEXQMJODFBC-UHFFFAOYSA-N
XLogP3.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.56
LogP ≤ 53.56
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

3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
2-chloro-4-(difluoromethyl)-3-nitro-6-(trifluoromethyl)pyridine
CID 118993647
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134668564
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
ethyl 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134673829
3-(chloromethyl)-4-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 130071216) is 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is CAIOEXQMJODFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF5N2/c9-6-4(2-15)3(7(10)11)1-5(16-6)8(12,13)14/h1,7H.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 256.56 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130071216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).