ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate

C9H7BrF3NO2 — CID 134674253

IUPACethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(F)c1Br
InChIInChI=1S/C9H7BrF3NO2/c1-2-16-9(15)4-3-14-7(8(12)13)6(11)5(4)10/h3,8H,2H2,1H3
InChIKeyWMVOIUVIVJLWEI-UHFFFAOYSA-N
MW298.06 g/mol
LogP3.10
Rot. Bonds3

About ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate

ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate (PubChem CID 134674253) has the molecular formula C9H7BrF3NO2 and a molecular weight of 298.06 g/mol. Its IUPAC name is ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
PubChem CID134674253
Molecular FormulaC9H7BrF3NO2
Molecular Weight298.06 g/mol
Exact Mass296.96
IUPAC Nameethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(F)c1Br
InChIInChI=1S/C9H7BrF3NO2/c1-2-16-9(15)4-3-14-7(8(12)13)6(11)5(4)10/h3,8H,2H2,1H3
InChIKeyWMVOIUVIVJLWEI-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671858
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 130098245
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 3-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylate
CID 134685320
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
ethyl 6-(bromomethyl)-2-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 133104718
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate (CID 134674253) is ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)c(F)c1Br.
What is the InChIKey of ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
The InChIKey is WMVOIUVIVJLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO2/c1-2-16-9(15)4-3-14-7(8(12)13)6(11)5(4)10/h3,8H,2H2,1H3.
What are the key properties of ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate has a molecular weight of 298.06 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 134674253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).