5-methylpyridine-2,4-dicarboxylic acid;hydrochloride

C8H8ClNO4 — CID 156874397

IUPAC5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
SMILESCc1cnc(C(=O)O)cc1C(=O)O.Cl
InChIInChI=1S/C8H7NO4.ClH/c1-4-3-9-6(8(12)13)2-5(4)7(10)11;/h2-3H,1H3,(H,10,11)(H,12,13);1H
InChIKeyWBWJQLINASCSSJ-UHFFFAOYSA-N
MW217.61 g/mol
LogP1.21
Rot. Bonds2

About 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride

5-methylpyridine-2,4-dicarboxylic acid;hydrochloride (PubChem CID 156874397) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
PubChem CID156874397
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Name5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
SMILESCc1cnc(C(=O)O)cc1C(=O)O.Cl
InChIInChI=1S/C8H7NO4.ClH/c1-4-3-9-6(8(12)13)2-5(4)7(10)11;/h2-3H,1H3,(H,10,11)(H,12,13);1H
InChIKeyWBWJQLINASCSSJ-UHFFFAOYSA-N
XLogP1.21
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 67026980
CID 67026980
4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
CID 118852266
5-ethynyl-4-methylpyridine-2-carboxylic acid
CID 74888658
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
CID 162313209
CID 162313209
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
4-ethoxycarbonyl-5-(2-trimethylsilylethynyl)pyridine-2-carboxylic acid
CID 68824594
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride
CID 88694189
4,5-dimethylpyridine-2-carboxamide
CID 158335176
7-methoxy-6-methylisoquinoline-3-carboxylic acid
CID 82393522

Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride?
The IUPAC name of 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride (CID 156874397) is 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride?
The canonical SMILES for 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride is Cc1cnc(C(=O)O)cc1C(=O)O.Cl.
What is the InChIKey of 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride?
The InChIKey is WBWJQLINASCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.ClH/c1-4-3-9-6(8(12)13)2-5(4)7(10)11;/h2-3H,1H3,(H,10,11)(H,12,13);1H.
What are the key properties of 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride?
5-methylpyridine-2,4-dicarboxylic acid;hydrochloride has a molecular weight of 217.61 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-2,4-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 156874397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).