2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride

C8H9Cl2NO4 — CID 175154002

IUPAC2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
SMILESCc1ncc(C(=O)O)cc1C(=O)O.Cl.Cl
InChIInChI=1S/C8H7NO4.2ClH/c1-4-6(8(12)13)2-5(3-9-4)7(10)11;;/h2-3H,1H3,(H,10,11)(H,12,13);2*1H
InChIKeyKPXJVKJIWMYETQ-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.63
Rot. Bonds2

About 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride

2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride (PubChem CID 175154002) has the molecular formula C8H9Cl2NO4 and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
PubChem CID175154002
Molecular FormulaC8H9Cl2NO4
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC Name2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
SMILESCc1ncc(C(=O)O)cc1C(=O)O.Cl.Cl
InChIInChI=1S/C8H7NO4.2ClH/c1-4-6(8(12)13)2-5(3-9-4)7(10)11;;/h2-3H,1H3,(H,10,11)(H,12,13);2*1H
InChIKeyKPXJVKJIWMYETQ-UHFFFAOYSA-N
XLogP1.63
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride?
The IUPAC name of 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride (CID 175154002) is 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride.
What is the SMILES notation for 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride?
The canonical SMILES for 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride is Cc1ncc(C(=O)O)cc1C(=O)O.Cl.Cl.
What is the InChIKey of 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride?
The InChIKey is KPXJVKJIWMYETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.2ClH/c1-4-6(8(12)13)2-5(3-9-4)7(10)11;;/h2-3H,1H3,(H,10,11)(H,12,13);2*1H.
What are the key properties of 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride?
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride has a molecular weight of 254.07 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride is sourced from PubChem (CID 175154002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).