3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid

C7H9N3O2 — CID 22390895

IUPAC3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C7H9N3O2/c11-7(12)10-2-1-5-6(3-10)9-4-8-5/h4H,1-3H2,(H,8,9)(H,11,12)
InChIKeyQKBGNJQRCZXEAP-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.45
Rot. Bonds

About 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid

3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 22390895) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid
PubChem CID22390895
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C7H9N3O2/c11-7(12)10-2-1-5-6(3-10)9-4-8-5/h4H,1-3H2,(H,8,9)(H,11,12)
InChIKeyQKBGNJQRCZXEAP-UHFFFAOYSA-N
XLogP0.45
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid (CID 22390895) is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is QKBGNJQRCZXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7(12)10-2-1-5-6(3-10)9-4-8-5/h4H,1-3H2,(H,8,9)(H,11,12).
What are the key properties of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid?
3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 22390895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).