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

C8H4ClF3N2 — CID 130076135

IUPAC3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(F)c1CCl
InChIInChI=1S/C8H4ClF3N2/c9-2-4-5(10)1-6(8(11)12)14-7(4)3-13/h1,8H,2H2
InChIKeyVAMSYJOSZMOERB-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.77
Rot. Bonds2

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

3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile (PubChem CID 130076135) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
PubChem CID130076135
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(F)c1CCl
InChIInChI=1S/C8H4ClF3N2/c9-2-4-5(10)1-6(8(11)12)14-7(4)3-13/h1,8H,2H2
InChIKeyVAMSYJOSZMOERB-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

6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile
CID 130075909
3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
CID 130076141
4-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108824
4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657
2-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134684129
6-(difluoromethyl)-3-(hydroxymethyl)-4-nitropyridine-2-carbonitrile
CID 130078685
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602
3-(bromomethyl)-6-(difluoromethyl)-4-formylpyridine-2-carbonitrile
CID 130078956
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile?
The IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile (CID 130076135) is 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile is N#Cc1nc(C(F)F)cc(F)c1CCl.
What is the InChIKey of 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile?
The InChIKey is VAMSYJOSZMOERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-2-4-5(10)1-6(8(11)12)14-7(4)3-13/h1,8H,2H2.
What are the key properties of 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile?
3-(chloromethyl)-6-(difluoromethyl)-4-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 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 130076135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).