ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate

C9H9F2NO3 — CID 133093182

IUPACethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(O)c(C(F)F)n1
InChIInChI=1S/C9H9F2NO3/c1-2-15-9(14)5-3-4-6(13)7(12-5)8(10)11/h3-4,8,13H,2H2,1H3
InChIKeyAEMLHSXFAVNFOE-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.90
Rot. Bonds3

About ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate

ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (PubChem CID 133093182) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
PubChem CID133093182
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Nameethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(O)c(C(F)F)n1
InChIInChI=1S/C9H9F2NO3/c1-2-15-9(14)5-3-4-6(13)7(12-5)8(10)11/h3-4,8,13H,2H2,1H3
InChIKeyAEMLHSXFAVNFOE-UHFFFAOYSA-N
XLogP1.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096834
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 6-(difluoromethyl)-5-hydroxy-4-nitropyridine-2-carboxylate
CID 133103096
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (CID 133093182) is ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is CCOC(=O)c1ccc(O)c(C(F)F)n1.
What is the InChIKey of ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The InChIKey is AEMLHSXFAVNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-2-15-9(14)5-3-4-6(13)7(12-5)8(10)11/h3-4,8,13H,2H2,1H3.
What are the key properties of ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate has a molecular weight of 217.17 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 133093182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).