ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate

C9H8F3NO2 — CID 133091151

IUPACethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1F
InChIInChI=1S/C9H8F3NO2/c1-2-15-9(14)5-4-13-7(8(11)12)3-6(5)10/h3-4,8H,2H2,1H3
InChIKeyAWFMOSPCJFEZRV-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.34
Rot. Bonds3

About ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate

ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate (PubChem CID 133091151) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
PubChem CID133091151
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Nameethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1F
InChIInChI=1S/C9H8F3NO2/c1-2-15-9(14)5-4-13-7(8(11)12)3-6(5)10/h3-4,8H,2H2,1H3
InChIKeyAWFMOSPCJFEZRV-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

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Related Compounds

ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
ethyl 4-fluoro-6-iodopyridine-3-carboxylate
CID 131189599
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134674253
2-(difluoromethyl)-5-ethyl-4-fluoropyridine
CID 176699553
ethyl 6-(1-chloroethyl)-4-methylpyridine-3-carboxylate
CID 175365234
ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate
CID 172993527
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 5-amino-2-[6-(difluoromethyl)-3-pyridinyl]-3-methylbenzoate
CID 162426978
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate (CID 133091151) is ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)cc1F.
What is the InChIKey of ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The InChIKey is AWFMOSPCJFEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-2-15-9(14)5-4-13-7(8(11)12)3-6(5)10/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
ethyl 6-(difluoromethyl)-4-fluoropyridine-3-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 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate is sourced from PubChem (CID 133091151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).