ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate

C9H8F3NO2 — CID 133090953

IUPACethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)cc(F)n1
InChIInChI=1S/C9H8F3NO2/c1-2-15-9(14)6-3-5(8(11)12)4-7(10)13-6/h3-4,8H,2H2,1H3
InChIKeyQXDKKNRDZXTXDP-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.34
Rot. Bonds3

About ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate

ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate (PubChem CID 133090953) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
PubChem CID133090953
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Nameethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)cc(F)n1
InChIInChI=1S/C9H8F3NO2/c1-2-15-9(14)6-3-5(8(11)12)4-7(10)13-6/h3-4,8H,2H2,1H3
InChIKeyQXDKKNRDZXTXDP-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.34
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 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 133090974
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
CID 133104874
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104522
ethyl 2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104291
ethyl 3-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133104034
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate (CID 133090953) is ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate is CCOC(=O)c1cc(C(F)F)cc(F)n1.
What is the InChIKey of ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate?
The InChIKey is QXDKKNRDZXTXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-2-15-9(14)6-3-5(8(11)12)4-7(10)13-6/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate has a molecular weight of 219.16 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate is sourced from PubChem (CID 133090953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).