6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile

C8H4ClF3N2 — CID 130076129

IUPAC6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)cc(C(F)F)c1F
InChIInChI=1S/C8H4ClF3N2/c9-2-4-1-5(8(11)12)7(10)6(3-13)14-4/h1,8H,2H2
InChIKeyUSKYVHFFEKFZAK-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.77
Rot. Bonds2

About 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile

6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile (PubChem CID 130076129) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
PubChem CID130076129
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)cc(C(F)F)c1F
InChIInChI=1S/C8H4ClF3N2/c9-2-4-1-5(8(11)12)7(10)6(3-13)14-4/h1,8H,2H2
InChIKeyUSKYVHFFEKFZAK-UHFFFAOYSA-N
XLogP2.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095941
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130076567
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile (CID 130076129) is 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile is N#Cc1nc(CCl)cc(C(F)F)c1F.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The InChIKey is USKYVHFFEKFZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-2-4-1-5(8(11)12)7(10)6(3-13)14-4/h1,8H,2H2.
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile has a molecular weight of 220.58 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 130076129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).