4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid

C7HCl2N3O3 — CID 171718786

IUPAC4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C1N=c2c(Cl)nc(Cl)c(C(=O)O)c2=N1
InChIInChI=1S/C7HCl2N3O3/c8-4-1(6(13)14)2-3(5(9)12-4)11-7(15)10-2/h(H,13,14)
InChIKeyUBLNIQRVPLFEDW-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.46
Rot. Bonds1

About 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid

4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 171718786) has the molecular formula C7HCl2N3O3 and a molecular weight of 246.01 g/mol. Its IUPAC name is 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID171718786
Molecular FormulaC7HCl2N3O3
Molecular Weight246.01 g/mol
Exact Mass244.94
IUPAC Name4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C1N=c2c(Cl)nc(Cl)c(C(=O)O)c2=N1
InChIInChI=1S/C7HCl2N3O3/c8-4-1(6(13)14)2-3(5(9)12-4)11-7(15)10-2/h(H,13,14)
InChIKeyUBLNIQRVPLFEDW-UHFFFAOYSA-N
XLogP0.46
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid (CID 171718786) is 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid is O=C1N=c2c(Cl)nc(Cl)c(C(=O)O)c2=N1.
What is the InChIKey of 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is UBLNIQRVPLFEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2N3O3/c8-4-1(6(13)14)2-3(5(9)12-4)11-7(15)10-2/h(H,13,14).
What are the key properties of 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid?
4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 246.01 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-oxoimidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 171718786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).