methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate

C10H10ClF2NO2 — CID 130090590

IUPACmethyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(CCl)c1C(F)F
InChIInChI=1S/C10H10ClF2NO2/c1-5-3-6(4-11)7(9(12)13)8(14-5)10(15)16-2/h3,9H,4H2,1-2H3
InChIKeyNSOBNSNXOYZCBY-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.85
Rot. Bonds3

About methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate

methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate (PubChem CID 130090590) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
PubChem CID130090590
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Namemethyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(CCl)c1C(F)F
InChIInChI=1S/C10H10ClF2NO2/c1-5-3-6(4-11)7(9(12)13)8(14-5)10(15)16-2/h3,9H,4H2,1-2H3
InChIKeyNSOBNSNXOYZCBY-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 3-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090578
ethyl 4-(chloromethyl)-6-cyano-3-(difluoromethyl)pyridine-2-carboxylate
CID 133107217
methyl 5-(chloromethyl)-3-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130087626
2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
CID 130069219
methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
CID 133105053
methyl 4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665177
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 133098511
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
methyl 3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 130082369
methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
CID 176833508
methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133104484

Frequently Asked Questions

What is the IUPAC name of methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate (CID 130090590) is methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate is COC(=O)c1nc(C)cc(CCl)c1C(F)F.
What is the InChIKey of methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate?
The InChIKey is NSOBNSNXOYZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-5-3-6(4-11)7(9(12)13)8(14-5)10(15)16-2/h3,9H,4H2,1-2H3.
What are the key properties of methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate?
methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-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 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 130090590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).