6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile

C8H5ClF2N2 — CID 130095941

IUPAC6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)ccc1C(F)F
InChIInChI=1S/C8H5ClF2N2/c9-3-5-1-2-6(8(10)11)7(4-12)13-5/h1-2,8H,3H2
InChIKeyJNNIZGXUZOLUES-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.63
Rot. Bonds2

About 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile

6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130095941) has the molecular formula C8H5ClF2N2 and a molecular weight of 202.59 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130095941
Molecular FormulaC8H5ClF2N2
Molecular Weight202.59 g/mol
Exact Mass202.01
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)ccc1C(F)F
InChIInChI=1S/C8H5ClF2N2/c9-3-5-1-2-6(8(10)11)7(4-12)13-5/h1-2,8H,3H2
InChIKeyJNNIZGXUZOLUES-UHFFFAOYSA-N
XLogP2.63
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.63
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

6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine
CID 130097600
3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130095837
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130095942
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130076567

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile (CID 130095941) is 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(CCl)ccc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is JNNIZGXUZOLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2/c9-3-5-1-2-6(8(10)11)7(4-12)13-5/h1-2,8H,3H2.
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 202.59 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130095941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).