3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride

C8H8ClN3O2 — CID 119031096

IUPAC3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCl.Cn1cnc2ccc(C(=O)O)nc21
InChIInChI=1S/C8H7N3O2.ClH/c1-11-4-9-5-2-3-6(8(12)13)10-7(5)11;/h2-4H,1H3,(H,12,13);1H
InChIKeyLWVBGWVIMTWMSJ-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.09
Rot. Bonds1

About 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride

3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride (PubChem CID 119031096) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride
PubChem CID119031096
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCl.Cn1cnc2ccc(C(=O)O)nc21
InChIInChI=1S/C8H7N3O2.ClH/c1-11-4-9-5-2-3-6(8(12)13)10-7(5)11;/h2-4H,1H3,(H,12,13);1H
InChIKeyLWVBGWVIMTWMSJ-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride (CID 119031096) is 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride is Cl.Cn1cnc2ccc(C(=O)O)nc21.
What is the InChIKey of 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is LWVBGWVIMTWMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c1-11-4-9-5-2-3-6(8(12)13)10-7(5)11;/h2-4H,1H3,(H,12,13);1H.
What are the key properties of 3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride?
3-methylimidazo[4,5-b]pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of 1.09, 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-b]pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 119031096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).