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

C9H8F3NO2 — CID 133105053

IUPACmethyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(F)cc(C)c1C(F)F
InChIInChI=1S/C9H8F3NO2/c1-4-3-5(10)13-7(9(14)15-2)6(4)8(11)12/h3,8H,1-2H3
InChIKeyXGQHKRPLMKTQRL-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.25
Rot. Bonds2

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

methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate (PubChem CID 133105053) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
PubChem CID133105053
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namemethyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(F)cc(C)c1C(F)F
InChIInChI=1S/C9H8F3NO2/c1-4-3-5(10)13-7(9(14)15-2)6(4)8(11)12/h3,8H,1-2H3
InChIKeyXGQHKRPLMKTQRL-UHFFFAOYSA-N
XLogP2.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 133107578
methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133104484
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090590
methyl 3-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carboxylate
CID 133104560
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594
methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
CID 130086271
methyl 3-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carboxylate
CID 133099851
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate (CID 133105053) is methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate is COC(=O)c1nc(F)cc(C)c1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate?
The InChIKey is XGQHKRPLMKTQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-4-3-5(10)13-7(9(14)15-2)6(4)8(11)12/h3,8H,1-2H3.
What are the key properties of methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate?
methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate has a molecular weight of 219.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 133105053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).