ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate

C9H9F2NO4 — CID 133093322

IUPACethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(O)cnc(C(F)F)c1O
InChIInChI=1S/C9H9F2NO4/c1-2-16-9(15)5-4(13)3-12-6(7(5)14)8(10)11/h3,8,13-14H,2H2,1H3
InChIKeyCPQIZJOYNIGEKB-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.61
Rot. Bonds3

About ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate

ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate (PubChem CID 133093322) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
PubChem CID133093322
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Nameethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(O)cnc(C(F)F)c1O
InChIInChI=1S/C9H9F2NO4/c1-2-16-9(15)5-4(13)3-12-6(7(5)14)8(10)11/h3,8,13-14H,2H2,1H3
InChIKeyCPQIZJOYNIGEKB-UHFFFAOYSA-N
XLogP1.61
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylate
CID 133102339
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 3-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylate
CID 134685320
ethyl 3-amino-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134673697

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate (CID 133093322) is ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate is CCOC(=O)c1c(O)cnc(C(F)F)c1O.
What is the InChIKey of ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate?
The InChIKey is CPQIZJOYNIGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-2-16-9(15)5-4(13)3-12-6(7(5)14)8(10)11/h3,8,13-14H,2H2,1H3.
What are the key properties of ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate?
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate has a molecular weight of 233.17 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate is sourced from PubChem (CID 133093322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).