4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile

C9H7ClF2N2 — CID 130078289

IUPAC4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(CCl)c1C(F)F
InChIInChI=1S/C9H7ClF2N2/c1-5-8(9(11)12)6(3-10)2-7(4-13)14-5/h2,9H,3H2,1H3
InChIKeyMRBAHSODWPMFGK-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.94
Rot. Bonds2

About 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile

4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile (PubChem CID 130078289) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
PubChem CID130078289
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(CCl)c1C(F)F
InChIInChI=1S/C9H7ClF2N2/c1-5-8(9(11)12)6(3-10)2-7(4-13)14-5/h2,9H,3H2,1H3
InChIKeyMRBAHSODWPMFGK-UHFFFAOYSA-N
XLogP2.94
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 52.94
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

ethyl 4-(chloromethyl)-6-cyano-3-(difluoromethyl)pyridine-2-carboxylate
CID 133107217
2-[2-(chloromethyl)-6-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118804263
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile
CID 130075987
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794
2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
CID 130069219
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380
4-(difluoromethyl)-5-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
CID 130078307
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
ethyl 2-[6-cyano-3-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 171029685
6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118804353
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile (CID 130078289) is 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile is Cc1nc(C#N)cc(CCl)c1C(F)F.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
The InChIKey is MRBAHSODWPMFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c1-5-8(9(11)12)6(3-10)2-7(4-13)14-5/h2,9H,3H2,1H3.
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile has a molecular weight of 216.62 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130078289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).