methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate

C10H10ClF2NO2 — CID 130090555

IUPACmethyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(C)nc1CCl
InChIInChI=1S/C10H10ClF2NO2/c1-5-6(9(12)13)3-7(10(15)16-2)8(4-11)14-5/h3,9H,4H2,1-2H3
InChIKeyOJILUBZIIYBYDV-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate

methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (PubChem CID 130090555) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
PubChem CID130090555
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Namemethyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(C)nc1CCl
InChIInChI=1S/C10H10ClF2NO2/c1-5-6(9(12)13)3-7(10(15)16-2)8(4-11)14-5/h3,9H,4H2,1-2H3
InChIKeyOJILUBZIIYBYDV-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
methyl 3-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090578
methyl 6-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133107008
ethyl 6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134674225
methyl 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668977
methyl 2-cyano-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133107579
methyl 6-bromo-2-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 130070404
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
methyl 6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134664019

Frequently Asked Questions

What is the IUPAC name of methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (CID 130090555) is methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate is COC(=O)c1cc(C(F)F)c(C)nc1CCl.
What is the InChIKey of methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is OJILUBZIIYBYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-5-6(9(12)13)3-7(10(15)16-2)8(4-11)14-5/h3,9H,4H2,1-2H3.
What are the key properties of methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate has a molecular weight of 249.64 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 130090555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).