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

C9H7ClF2N2 — CID 130078267

IUPAC6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(CCl)nc(C#N)c1C(F)F
InChIInChI=1S/C9H7ClF2N2/c1-5-2-6(3-10)14-7(4-13)8(5)9(11)12/h2,9H,3H2,1H3
InChIKeyULRQQHBLJGUEJG-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.94
Rot. Bonds2

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

6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile (PubChem CID 130078267) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
PubChem CID130078267
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(CCl)nc(C#N)c1C(F)F
InChIInChI=1S/C9H7ClF2N2/c1-5-2-6(3-10)14-7(4-13)8(5)9(11)12/h2,9H,3H2,1H3
InChIKeyULRQQHBLJGUEJG-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

6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095941
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 118817088
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130078289
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130102739

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile (CID 130078267) is 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile is Cc1cc(CCl)nc(C#N)c1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
The InChIKey is ULRQQHBLJGUEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c1-5-2-6(3-10)14-7(4-13)8(5)9(11)12/h2,9H,3H2,1H3.
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
6-(chloromethyl)-3-(difluoromethyl)-4-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 6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130078267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).