ethyl 3-hydroxy-6-methylpyridine-2-carboxylate

C9H11NO3 — CID 131199120

IUPACethyl 3-hydroxy-6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)ccc1O
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)8-7(11)5-4-6(2)10-8/h4-5,11H,3H2,1-2H3
InChIKeyKTVNHJVNSMMPTL-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.27
Rot. Bonds2

About ethyl 3-hydroxy-6-methylpyridine-2-carboxylate

ethyl 3-hydroxy-6-methylpyridine-2-carboxylate (PubChem CID 131199120) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 3-hydroxy-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-6-methylpyridine-2-carboxylate
PubChem CID131199120
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 3-hydroxy-6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)ccc1O
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)8-7(11)5-4-6(2)10-8/h4-5,11H,3H2,1-2H3
InChIKeyKTVNHJVNSMMPTL-UHFFFAOYSA-N
XLogP1.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-6-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-6-methylpyridine-2-carboxylate (CID 131199120) is ethyl 3-hydroxy-6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-6-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-6-methylpyridine-2-carboxylate is CCOC(=O)c1nc(C)ccc1O.
What is the InChIKey of ethyl 3-hydroxy-6-methylpyridine-2-carboxylate?
The InChIKey is KTVNHJVNSMMPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-13-9(12)8-7(11)5-4-6(2)10-8/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-6-methylpyridine-2-carboxylate?
ethyl 3-hydroxy-6-methylpyridine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 131199120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).