4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride

C7H11Cl2N3O2 — CID 67945944

IUPAC4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1NCCc2[nH]cnc21
InChIInChI=1S/C7H9N3O2.2ClH/c11-7(12)6-5-4(1-2-8-6)9-3-10-5;;/h3,6,8H,1-2H2,(H,9,10)(H,11,12);2*1H
InChIKeyKDYFDWRPJISROS-UHFFFAOYSA-N
MW240.09 g/mol
LogP0.52
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride

4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride (PubChem CID 67945944) has the molecular formula C7H11Cl2N3O2 and a molecular weight of 240.09 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride
PubChem CID67945944
Molecular FormulaC7H11Cl2N3O2
Molecular Weight240.09 g/mol
Exact Mass239.02
IUPAC Name4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1NCCc2[nH]cnc21
InChIInChI=1S/C7H9N3O2.2ClH/c11-7(12)6-5-4(1-2-8-6)9-3-10-5;;/h3,6,8H,1-2H2,(H,9,10)(H,11,12);2*1H
InChIKeyKDYFDWRPJISROS-UHFFFAOYSA-N
XLogP0.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 50.52
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-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride (CID 67945944) is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1NCCc2[nH]cnc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride?
The InChIKey is KDYFDWRPJISROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.2ClH/c11-7(12)6-5-4(1-2-8-6)9-3-10-5;;/h3,6,8H,1-2H2,(H,9,10)(H,11,12);2*1H.
What are the key properties of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride?
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride has a molecular weight of 240.09 g/mol, XLogP of 0.52, 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-1H-imidazo[4,5-c]pyridine-4-carboxylic acid;dihydrochloride is sourced from PubChem (CID 67945944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).