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

C8H8ClF2N — CID 130097596

IUPAC2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
SMILESCc1cnc(CCl)cc1C(F)F
InChIInChI=1S/C8H8ClF2N/c1-5-4-12-6(3-9)2-7(5)8(10)11/h2,4,8H,3H2,1H3
InChIKeyHZIYOUDONCDAGB-UHFFFAOYSA-N
MW191.61 g/mol
LogP3.07
Rot. Bonds2

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

2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine (PubChem CID 130097596) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
PubChem CID130097596
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
SMILESCc1cnc(CCl)cc1C(F)F
InChIInChI=1S/C8H8ClF2N/c1-5-4-12-6(3-9)2-7(5)8(10)11/h2,4,8H,3H2,1H3
InChIKeyHZIYOUDONCDAGB-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'}

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Related Compounds

6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
CID 130083736
5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine
CID 130097647
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 130098456
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 176930322
2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130097680
6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine
CID 130097600
2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
CID 118809945

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine?
The IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine (CID 130097596) is 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine is Cc1cnc(CCl)cc1C(F)F.
What is the InChIKey of 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine?
The InChIKey is HZIYOUDONCDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-5-4-12-6(3-9)2-7(5)8(10)11/h2,4,8H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine?
2-(chloromethyl)-4-(difluoromethyl)-5-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)-4-(difluoromethyl)-5-methylpyridine is sourced from PubChem (CID 130097596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).