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

C8H8ClF2N — CID 130097600

IUPAC6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine
SMILESCc1nc(CCl)ccc1C(F)F
InChIInChI=1S/C8H8ClF2N/c1-5-7(8(10)11)3-2-6(4-9)12-5/h2-3,8H,4H2,1H3
InChIKeyKJYZBFFWOVKPCL-UHFFFAOYSA-N
MW191.61 g/mol
LogP3.07
Rot. Bonds2

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

6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine (PubChem CID 130097600) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine
PubChem CID130097600
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine
SMILESCc1nc(CCl)ccc1C(F)F
InChIInChI=1S/C8H8ClF2N/c1-5-7(8(10)11)3-2-6(4-9)12-5/h2-3,8H,4H2,1H3
InChIKeyKJYZBFFWOVKPCL-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
6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095941
[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130098354
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
CID 130097596
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine
CID 170581663
6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
CID 130088240
4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methylpyridine
CID 119013902

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine (CID 130097600) is 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine is Cc1nc(CCl)ccc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine?
The InChIKey is KJYZBFFWOVKPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-5-7(8(10)11)3-2-6(4-9)12-5/h2-3,8H,4H2,1H3.
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine?
6-(chloromethyl)-3-(difluoromethyl)-2-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 6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine is sourced from PubChem (CID 130097600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).