ethyl 5-hydroxypyridine-3-carboxylate

C8H9NO3 — CID 910016

IUPACethyl 5-hydroxypyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(O)c1
InChIInChI=1S/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3
InChIKeyLFDNUOROKFFJLE-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.96
Rot. Bonds2

About ethyl 5-hydroxypyridine-3-carboxylate

ethyl 5-hydroxypyridine-3-carboxylate (PubChem CID 910016) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is ethyl 5-hydroxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxypyridine-3-carboxylate
PubChem CID910016
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Nameethyl 5-hydroxypyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(O)c1
InChIInChI=1S/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3
InChIKeyLFDNUOROKFFJLE-UHFFFAOYSA-N
XLogP0.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxypyridine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxypyridine-3-carboxylate (CID 910016) is ethyl 5-hydroxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxypyridine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxypyridine-3-carboxylate is CCOC(=O)c1cncc(O)c1.
What is the InChIKey of ethyl 5-hydroxypyridine-3-carboxylate?
The InChIKey is LFDNUOROKFFJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3.
What are the key properties of ethyl 5-hydroxypyridine-3-carboxylate?
ethyl 5-hydroxypyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxypyridine-3-carboxylate is sourced from PubChem (CID 910016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).