4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride

C7H10ClN3O2 — CID 2771116

IUPAC4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);1H
InChIKeyIJWPDVGZOCCGRA-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.07
Rot. Bonds1

About 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride

4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride (PubChem CID 2771116) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
PubChem CID2771116
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);1H
InChIKeyIJWPDVGZOCCGRA-UHFFFAOYSA-N
XLogP-0.07
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride (CID 2771116) is 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride is Cl.O=C(O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
The InChIKey is IJWPDVGZOCCGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);1H.
What are the key properties of 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 2771116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).