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

C8H4ClF3N2 — CID 130076123

IUPAC2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(CCl)c1C(F)F
InChIInChI=1S/C8H4ClF3N2/c9-2-5-7(8(11)12)4(3-13)1-6(10)14-5/h1,8H,2H2
InChIKeyZPLOTPVMTOOXTP-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.77
Rot. Bonds2

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

2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile (PubChem CID 130076123) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
PubChem CID130076123
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(CCl)c1C(F)F
InChIInChI=1S/C8H4ClF3N2/c9-2-5-7(8(11)12)4(3-13)1-6(10)14-5/h1,8H,2H2
InChIKeyZPLOTPVMTOOXTP-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

6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
CID 118855086
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901
2-[2-(chloromethyl)-6-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118804263
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
The IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile (CID 130076123) is 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
The canonical SMILES for 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile is N#Cc1cc(F)nc(CCl)c1C(F)F.
What is the InChIKey of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
The InChIKey is ZPLOTPVMTOOXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-2-5-7(8(11)12)4(3-13)1-6(10)14-5/h1,8H,2H2.
What are the key properties of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile?
2-(chloromethyl)-3-(difluoromethyl)-6-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 2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 130076123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).