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

C10H10F3NO2 — CID 133104874

IUPACethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(F)nc1C(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-16-10(15)7-5(2)4-6(11)14-8(7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyHHFLJBSSKZDMIE-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.64
Rot. Bonds3

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

ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate (PubChem CID 133104874) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
PubChem CID133104874
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Nameethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(F)nc1C(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-16-10(15)7-5(2)4-6(11)14-8(7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyHHFLJBSSKZDMIE-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.64
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

ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
ethyl 2-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-4-carboxylate
CID 133103926
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
ethyl 2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104291
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
ethyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104522
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133090953
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate (CID 133104874) is ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate is CCOC(=O)c1c(C)cc(F)nc1C(F)F.
What is the InChIKey of ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate?
The InChIKey is HHFLJBSSKZDMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-3-16-10(15)7-5(2)4-6(11)14-8(7)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate?
ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate has a molecular weight of 233.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 133104874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).