ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate

C10H11F2NO4 — CID 133103341

IUPACethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(O)c(C(F)F)c1OC
InChIInChI=1S/C10H11F2NO4/c1-3-17-10(15)7-8(16-2)6(9(11)12)5(14)4-13-7/h4,9,14H,3H2,1-2H3
InChIKeyWWQUFPOXHDUPJE-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.91
Rot. Bonds4

About ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate

ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate (PubChem CID 133103341) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
PubChem CID133103341
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Nameethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(O)c(C(F)F)c1OC
InChIInChI=1S/C10H11F2NO4/c1-3-17-10(15)7-8(16-2)6(9(11)12)5(14)4-13-7/h4,9,14H,3H2,1-2H3
InChIKeyWWQUFPOXHDUPJE-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

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Related Compounds

methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134685125
ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680335
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 3-bromo-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134668069
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103884

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate (CID 133103341) is ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate is CCOC(=O)c1ncc(O)c(C(F)F)c1OC.
What is the InChIKey of ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate?
The InChIKey is WWQUFPOXHDUPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-3-17-10(15)7-8(16-2)6(9(11)12)5(14)4-13-7/h4,9,14H,3H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-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 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133103341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).