6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid

C8H9N3O4 — CID 175715833

IUPAC6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)N1CCc2ncn(C(=O)O)c2C1
InChIInChI=1S/C8H9N3O4/c12-7(13)10-2-1-5-6(3-10)11(4-9-5)8(14)15/h4H,1-3H2,(H,12,13)(H,14,15)
InChIKeyAVHQERMNJQKOGU-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.45
Rot. Bonds

About 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid

6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid (PubChem CID 175715833) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid
PubChem CID175715833
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)N1CCc2ncn(C(=O)O)c2C1
InChIInChI=1S/C8H9N3O4/c12-7(13)10-2-1-5-6(3-10)11(4-9-5)8(14)15/h4H,1-3H2,(H,12,13)(H,14,15)
InChIKeyAVHQERMNJQKOGU-UHFFFAOYSA-N
XLogP0.45
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid?
The IUPAC name of 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid (CID 175715833) is 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid is O=C(O)N1CCc2ncn(C(=O)O)c2C1.
What is the InChIKey of 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid?
The InChIKey is AVHQERMNJQKOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-7(13)10-2-1-5-6(3-10)11(4-9-5)8(14)15/h4H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid?
6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 175715833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).