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

C8H9Cl2N3O2 — CID 138040516

IUPAC1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1cnc2cnc(C(=O)O)cc21
InChIInChI=1S/C8H7N3O2.2ClH/c1-11-4-10-6-3-9-5(8(12)13)2-7(6)11;;/h2-4H,1H3,(H,12,13);2*1H
InChIKeyUPIFLLGLRLBTRE-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.51
Rot. Bonds1

About 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride

1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (PubChem CID 138040516) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.09 g/mol. Its IUPAC name is 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
PubChem CID138040516
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.09 g/mol
Exact Mass249.01
IUPAC Name1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1cnc2cnc(C(=O)O)cc21
InChIInChI=1S/C8H7N3O2.2ClH/c1-11-4-10-6-3-9-5(8(12)13)2-7(6)11;;/h2-4H,1H3,(H,12,13);2*1H
InChIKeyUPIFLLGLRLBTRE-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

3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid
CID 115023919
4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
CID 126796383
3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 105465501
2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid
CID 165497083
1-methylbenzimidazole-5,6-diol;hydrobromide
CID 70571502
3-methylbenzimidazole-5-carboxamide
CID 21105052
2-(3-methylbenzimidazol-5-yl)oxyacetic acid
CID 84673953
7-bromo-1-methylbenzimidazole-5-carboxylic acid
CID 75487801
5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
CID 156874397
5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid
CID 123899815
6-chloro-1-methylbenzimidazole-5-carboxamide
CID 112756940
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The IUPAC name of 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride (CID 138040516) is 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is Cl.Cl.Cn1cnc2cnc(C(=O)O)cc21.
What is the InChIKey of 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
The InChIKey is UPIFLLGLRLBTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.2ClH/c1-11-4-10-6-3-9-5(8(12)13)2-7(6)11;;/h2-4H,1H3,(H,12,13);2*1H.
What are the key properties of 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride?
1-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 1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride is sourced from PubChem (CID 138040516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).