3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride

C8H9Cl2N3O2 — CID 138040786

IUPAC3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1cnc2cc(C(=O)O)ncc21
InChIInChI=1S/C8H7N3O2.2ClH/c1-11-4-10-5-2-6(8(12)13)9-3-7(5)11;;/h2-4H,1H3,(H,12,13);2*1H
InChIKeyMVJXKQMWULDYJJ-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.51
Rot. Bonds1

About 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride

3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (PubChem CID 138040786) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.09 g/mol. Its IUPAC name is 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
PubChem CID138040786
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.09 g/mol
Exact Mass249.01
IUPAC Name3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1cnc2cc(C(=O)O)ncc21
InChIInChI=1S/C8H7N3O2.2ClH/c1-11-4-10-5-2-6(8(12)13)9-3-7(5)11;;/h2-4H,1H3,(H,12,13);2*1H
InChIKeyMVJXKQMWULDYJJ-UHFFFAOYSA-N
XLogP1.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
4-(1H-imidazol-1-yl)pyridine-2-carboxylic acid
CID 26967237
4-Methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 135914622
2-(1-propyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 90406886
2-(1-Benzylimidazol-4-yl)pyridine-4-carboxylic acid
CID 90407085
US10273222, Example 40
CID 90407318
US10273222, Example 58
CID 90407349
US10273222, Example 42
CID 90407364
US10273222, Example 47
CID 90407369
Pyrrolo(1,2-c)pyrimidine-3-carboxylic acid
CID 12132789
Methyl 3H-imidazo[4,5-C]pyridine-6-carboxylate
CID 21892231
4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 52936351

Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The IUPAC name of 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (CID 138040786) is 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.
What is the SMILES notation for 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The canonical SMILES for 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is Cl.Cl.Cn1cnc2cc(C(=O)O)ncc21.
What is the InChIKey of 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The InChIKey is MVJXKQMWULDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.2ClH/c1-11-4-10-5-2-6(8(12)13)9-3-7(5)11;;/h2-4H,1H3,(H,12,13);2*1H.
What are the key properties of 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride has a molecular weight of 250.09 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is sourced from PubChem (CID 138040786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).