2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

C8H4Cl2F2N2 — CID 119021941

IUPAC2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CCl)nc1Cl
InChIInChI=1S/C8H4Cl2F2N2/c9-2-6-5(8(11)12)1-4(3-13)7(10)14-6/h1,8H,2H2
InChIKeyXIXZVVUPHUMJHF-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.28
Rot. Bonds2

About 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 119021941) has the molecular formula C8H4Cl2F2N2 and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID119021941
Molecular FormulaC8H4Cl2F2N2
Molecular Weight237.04 g/mol
Exact Mass235.97
IUPAC Name2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CCl)nc1Cl
InChIInChI=1S/C8H4Cl2F2N2/c9-2-6-5(8(11)12)1-4(3-13)7(10)14-6/h1,8H,2H2
InChIKeyXIXZVVUPHUMJHF-UHFFFAOYSA-N
XLogP3.28
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.28
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-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (CID 119021941) is 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(CCl)nc1Cl.
What is the InChIKey of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XIXZVVUPHUMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2N2/c9-2-6-5(8(11)12)1-4(3-13)7(10)14-6/h1,8H,2H2.
What are the key properties of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 237.04 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 119021941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).