ethyl 3-hydroxy-5-methylpyridine-4-carboxylate

C9H11NO3 — CID 131216125

IUPACethyl 3-hydroxy-5-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(C)cncc1O
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)8-6(2)4-10-5-7(8)11/h4-5,11H,3H2,1-2H3
InChIKeyWJKIGZVJYDGXKB-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.27
Rot. Bonds2

About ethyl 3-hydroxy-5-methylpyridine-4-carboxylate

ethyl 3-hydroxy-5-methylpyridine-4-carboxylate (PubChem CID 131216125) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 3-hydroxy-5-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-5-methylpyridine-4-carboxylate
PubChem CID131216125
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 3-hydroxy-5-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(C)cncc1O
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)8-6(2)4-10-5-7(8)11/h4-5,11H,3H2,1-2H3
InChIKeyWJKIGZVJYDGXKB-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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Related Compounds

ethyl 3-methoxy-5-methylpyridine-4-carboxylate
CID 171030458
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate
CID 133092814
ethyl 4-fluoro-5-methylpyridine-3-carboxylate
CID 130953044
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 4-methoxy-5-methylpyridine-3-carboxylate
CID 133096766
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 3-bromo-5-fluoropyridine-4-carboxylate
CID 46311470
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
CID 133060055

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-5-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 3-hydroxy-5-methylpyridine-4-carboxylate (CID 131216125) is ethyl 3-hydroxy-5-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-5-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-5-methylpyridine-4-carboxylate is CCOC(=O)c1c(C)cncc1O.
What is the InChIKey of ethyl 3-hydroxy-5-methylpyridine-4-carboxylate?
The InChIKey is WJKIGZVJYDGXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-13-9(12)8-6(2)4-10-5-7(8)11/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-5-methylpyridine-4-carboxylate?
ethyl 3-hydroxy-5-methylpyridine-4-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-5-methylpyridine-4-carboxylate is sourced from PubChem (CID 131216125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).