2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile

C10H9ClF2N2 — CID 130090366

IUPAC2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
SMILESCc1cc(CCl)nc(C(F)F)c1CC#N
InChIInChI=1S/C10H9ClF2N2/c1-6-4-7(5-11)15-9(10(12)13)8(6)2-3-14/h4,10H,2,5H2,1H3
InChIKeyPWCLOIHDFWKGLH-UHFFFAOYSA-N
MW230.64 g/mol
LogP3.13
Rot. Bonds3

About 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile

2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile (PubChem CID 130090366) has the molecular formula C10H9ClF2N2 and a molecular weight of 230.64 g/mol. Its IUPAC name is 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
PubChem CID130090366
Molecular FormulaC10H9ClF2N2
Molecular Weight230.64 g/mol
Exact Mass230.04
IUPAC Name2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
SMILESCc1cc(CCl)nc(C(F)F)c1CC#N
InChIInChI=1S/C10H9ClF2N2/c1-6-4-7(5-11)15-9(10(12)13)8(6)2-3-14/h4,10H,2,5H2,1H3
InChIKeyPWCLOIHDFWKGLH-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 53.13
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-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826
2-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130074269
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864

Frequently Asked Questions

What is the IUPAC name of 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile (CID 130090366) is 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile is Cc1cc(CCl)nc(C(F)F)c1CC#N.
What is the InChIKey of 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile?
The InChIKey is PWCLOIHDFWKGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2/c1-6-4-7(5-11)15-9(10(12)13)8(6)2-3-14/h4,10H,2,5H2,1H3.
What are the key properties of 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile?
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile has a molecular weight of 230.64 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130090366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).