ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate

C10H11F2NO4 — CID 133103473

IUPACethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(O)c1OC
InChIInChI=1S/C10H11F2NO4/c1-3-17-10(15)5-4-13-6(9(11)12)7(14)8(5)16-2/h4,9,14H,3H2,1-2H3
InChIKeyYKJIGLFOJLMWHG-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.91
Rot. Bonds4

About ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate

ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate (PubChem CID 133103473) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
PubChem CID133103473
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Nameethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(O)c1OC
InChIInChI=1S/C10H11F2NO4/c1-3-17-10(15)5-4-13-6(9(11)12)7(14)8(5)16-2/h4,9,14H,3H2,1-2H3
InChIKeyYKJIGLFOJLMWHG-UHFFFAOYSA-N
XLogP1.91
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134674253
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 2-[[(2-chloroacetyl)amino]methyl]-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 167799212
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
CID 130083326

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate (CID 133103473) is ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)c(O)c1OC.
What is the InChIKey of ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate?
The InChIKey is YKJIGLFOJLMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-3-17-10(15)5-4-13-6(9(11)12)7(14)8(5)16-2/h4,9,14H,3H2,1-2H3.
What are the key properties of ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate?
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate has a molecular weight of 247.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133103473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).