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

C8H4ClF3N2 — CID 130076141

IUPAC3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)F)nc(F)c1CCl
InChIInChI=1S/C8H4ClF3N2/c9-2-5-4(3-13)1-6(7(10)11)14-8(5)12/h1,7H,2H2
InChIKeyQYSWUKAJNRECFJ-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.77
Rot. Bonds2

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

3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile (PubChem CID 130076141) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
PubChem CID130076141
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)F)nc(F)c1CCl
InChIInChI=1S/C8H4ClF3N2/c9-2-5-4(3-13)1-6(7(10)11)14-8(5)12/h1,7H,2H2
InChIKeyQYSWUKAJNRECFJ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133105860
3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 130076135
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile
CID 118828015
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078191
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057
methyl 4-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134686496
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
2-[5-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106523
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile?
The IUPAC name of 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile (CID 130076141) is 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile?
The canonical SMILES for 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile is N#Cc1cc(C(F)F)nc(F)c1CCl.
What is the InChIKey of 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile?
The InChIKey is QYSWUKAJNRECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-2-5-4(3-13)1-6(7(10)11)14-8(5)12/h1,7H,2H2.
What are the key properties of 3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile?
3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-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)-2-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 130076141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).