5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride

C8H8ClNO5 — CID 159409477

IUPAC5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride
SMILESCc1ncc(C(=O)O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C8H7NO5.ClH/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12;/h2,10H,1H3,(H,11,12)(H,13,14);1H
InChIKeyLOJUQLGDBXZQIT-UHFFFAOYSA-N
MW233.61 g/mol
LogP0.91
Rot. Bonds2

About 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride

5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride (PubChem CID 159409477) has the molecular formula C8H8ClNO5 and a molecular weight of 233.61 g/mol. Its IUPAC name is 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride
PubChem CID159409477
Molecular FormulaC8H8ClNO5
Molecular Weight233.61 g/mol
Exact Mass233.01
IUPAC Name5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride
SMILESCc1ncc(C(=O)O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C8H7NO5.ClH/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12;/h2,10H,1H3,(H,11,12)(H,13,14);1H
InChIKeyLOJUQLGDBXZQIT-UHFFFAOYSA-N
XLogP0.91
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
CID 162194008
3-hydroxy-2-methyl-5-phenylpyridine-4-carboxylic acid
CID 82391092
3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
CID 131710706
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
3-hydroxy-4-methylphthalic acid
CID 139814560
4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid
CID 71757352
3-acetyl-5-ethoxycarbonyl-2-methylpyridine-4-carboxylic acid
CID 24973251
1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethanone
CID 23342911
1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]ethanone
CID 90678912
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
CID 45097237

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride?
The IUPAC name of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride (CID 159409477) is 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride?
The canonical SMILES for 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride is Cc1ncc(C(=O)O)c(C(=O)O)c1O.Cl.
What is the InChIKey of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride?
The InChIKey is LOJUQLGDBXZQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5.ClH/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12;/h2,10H,1H3,(H,11,12)(H,13,14);1H.
What are the key properties of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride?
5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride has a molecular weight of 233.61 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 159409477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).