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

C8H7Cl2F2N — CID 130074238

IUPAC3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
SMILESCc1cc(CCl)nc(C(F)F)c1Cl
InChIInChI=1S/C8H7Cl2F2N/c1-4-2-5(3-9)13-7(6(4)10)8(11)12/h2,8H,3H2,1H3
InChIKeyUNCVVIDKFVNWPV-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.72
Rot. Bonds2

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

3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine (PubChem CID 130074238) has the molecular formula C8H7Cl2F2N and a molecular weight of 226.05 g/mol. Its IUPAC name is 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine.

Molecular Properties

Compound Name3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
PubChem CID130074238
Molecular FormulaC8H7Cl2F2N
Molecular Weight226.05 g/mol
Exact Mass224.99
IUPAC Name3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
SMILESCc1cc(CCl)nc(C(F)F)c1Cl
InChIInChI=1S/C8H7Cl2F2N/c1-4-2-5(3-9)13-7(6(4)10)8(11)12/h2,8H,3H2,1H3
InChIKeyUNCVVIDKFVNWPV-UHFFFAOYSA-N
XLogP3.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
CID 130097596
3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130068320
6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
CID 130083736
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
The IUPAC name of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine (CID 130074238) is 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine.
What is the SMILES notation for 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
The canonical SMILES for 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine is Cc1cc(CCl)nc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
The InChIKey is UNCVVIDKFVNWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2N/c1-4-2-5(3-9)13-7(6(4)10)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine has a molecular weight of 226.05 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine is sourced from PubChem (CID 130074238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).