methyl 5-hydroxy-4-methylpyridine-3-carboxylate

C8H9NO3 — CID 130115769

IUPACmethyl 5-hydroxy-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cncc(O)c1C
InChIInChI=1S/C8H9NO3/c1-5-6(8(11)12-2)3-9-4-7(5)10/h3-4,10H,1-2H3
InChIKeyGTZZZIAEURKGMG-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.88
Rot. Bonds1

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

methyl 5-hydroxy-4-methylpyridine-3-carboxylate (PubChem CID 130115769) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 5-hydroxy-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-4-methylpyridine-3-carboxylate
PubChem CID130115769
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 5-hydroxy-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cncc(O)c1C
InChIInChI=1S/C8H9NO3/c1-5-6(8(11)12-2)3-9-4-7(5)10/h3-4,10H,1-2H3
InChIKeyGTZZZIAEURKGMG-UHFFFAOYSA-N
XLogP0.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-4-methylpyridine-3-carboxylic acid
CID 105429833
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 4-methyl-5-piperidin-1-ylpyridine-3-carboxylate
CID 90734289
(E)-4-amino-4-(5-hydroxy-4-methyl-3-pyridinyl)but-3-en-2-one
CID 174275229
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
methyl 5-amino-3-hydroxy-2-methylbenzoate
CID 131366361
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
CID 22019195
methyl 2-hydroxybenzoate;pyrimidine
CID 157250950
methyl 5-methyl-4-phenylpyridine-3-carboxylate
CID 10878891
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-hydroxy-4-methylpyridine-3-carboxylate (CID 130115769) is methyl 5-hydroxy-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-hydroxy-4-methylpyridine-3-carboxylate is COC(=O)c1cncc(O)c1C.
What is the InChIKey of methyl 5-hydroxy-4-methylpyridine-3-carboxylate?
The InChIKey is GTZZZIAEURKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-6(8(11)12-2)3-9-4-7(5)10/h3-4,10H,1-2H3.
What are the key properties of methyl 5-hydroxy-4-methylpyridine-3-carboxylate?
methyl 5-hydroxy-4-methylpyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 130115769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).