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

C7H9N3O2 — CID 22575006

IUPAC4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1NCCc2[nH]cnc21
InChIInChI=1S/C7H9N3O2/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)
InChIKeyBELXZXRNDYMDFT-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.32
Rot. Bonds1

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

4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 22575006) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID22575006
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1NCCc2[nH]cnc21
InChIInChI=1S/C7H9N3O2/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)
InChIKeyBELXZXRNDYMDFT-UHFFFAOYSA-N
XLogP-0.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.32
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?
The IUPAC name of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CID 22575006) is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is 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?
The InChIKey is BELXZXRNDYMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/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).
What are the key properties of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.32, 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 is sourced from PubChem (CID 22575006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).