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

C8H8ClF2N — CID 130097601

IUPAC2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine
SMILESCc1ccc(C(F)F)nc1CCl
InChIInChI=1S/C8H8ClF2N/c1-5-2-3-6(8(10)11)12-7(5)4-9/h2-3,8H,4H2,1H3
InChIKeyQDHQEBQHKJCXRB-UHFFFAOYSA-N
MW191.61 g/mol
LogP3.07
Rot. Bonds2

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

2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine (PubChem CID 130097601) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine
PubChem CID130097601
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine
SMILESCc1ccc(C(F)F)nc1CCl
InChIInChI=1S/C8H8ClF2N/c1-5-2-3-6(8(10)11)12-7(5)4-9/h2-3,8H,4H2,1H3
InChIKeyQDHQEBQHKJCXRB-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-2-fluoro-3-methylpyridine
CID 130096225
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134673525
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
4-chloro-2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine
CID 130073192
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 118854250
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070605

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine (CID 130097601) is 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine is Cc1ccc(C(F)F)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine?
The InChIKey is QDHQEBQHKJCXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-5-2-3-6(8(10)11)12-7(5)4-9/h2-3,8H,4H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine?
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine has a molecular weight of 191.61 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine is sourced from PubChem (CID 130097601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).