ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate

C9H7F4NO2 — CID 134677164

IUPACethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(F)c(F)c(C(F)F)n1
InChIInChI=1S/C9H7F4NO2/c1-2-16-9(15)5-3-4(10)6(11)7(14-5)8(12)13/h3,8H,2H2,1H3
InChIKeyBPZQNYOSRCMQFL-UHFFFAOYSA-N
MW237.15 g/mol
LogP2.47
Rot. Bonds3

About ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate

ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate (PubChem CID 134677164) has the molecular formula C9H7F4NO2 and a molecular weight of 237.15 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
PubChem CID134677164
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
Exact Mass237.04
IUPAC Nameethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(F)c(F)c(C(F)F)n1
InChIInChI=1S/C9H7F4NO2/c1-2-16-9(15)5-3-4(10)6(11)7(14-5)8(12)13/h3,8H,2H2,1H3
InChIKeyBPZQNYOSRCMQFL-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 4-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134677221
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610
ethyl 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133090953
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 6-(bromomethyl)-2-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 133104718
ethyl 6-(difluoromethyl)-5-hydroxy-4-nitropyridine-2-carboxylate
CID 133103096

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate (CID 134677164) is ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate is CCOC(=O)c1cc(F)c(F)c(C(F)F)n1.
What is the InChIKey of ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate?
The InChIKey is BPZQNYOSRCMQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO2/c1-2-16-9(15)5-3-4(10)6(11)7(14-5)8(12)13/h3,8H,2H2,1H3.
What are the key properties of ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate?
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate has a molecular weight of 237.15 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate is sourced from PubChem (CID 134677164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).