5,6-dichloro-1H-imidazo[4,5-b]pyridine

C6H3Cl2N3 — CID 53438932

IUPAC5,6-dichloro-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]cnc2nc1Cl
InChIInChI=1S/C6H3Cl2N3/c7-3-1-4-6(10-2-9-4)11-5(3)8/h1-2H,(H,9,10,11)
InChIKeyUWYSZYFNTMSWDF-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.26
Rot. Bonds

About 5,6-dichloro-1H-imidazo[4,5-b]pyridine

5,6-dichloro-1H-imidazo[4,5-b]pyridine (PubChem CID 53438932) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 5,6-dichloro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-1H-imidazo[4,5-b]pyridine
PubChem CID53438932
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name5,6-dichloro-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]cnc2nc1Cl
InChIInChI=1S/C6H3Cl2N3/c7-3-1-4-6(10-2-9-4)11-5(3)8/h1-2H,(H,9,10,11)
InChIKeyUWYSZYFNTMSWDF-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5,6-dichloro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-1H-imidazo[4,5-b]pyridine (CID 53438932) is 5,6-dichloro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]cnc2nc1Cl.
What is the InChIKey of 5,6-dichloro-1H-imidazo[4,5-b]pyridine?
The InChIKey is UWYSZYFNTMSWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-3-1-4-6(10-2-9-4)11-5(3)8/h1-2H,(H,9,10,11).
What are the key properties of 5,6-dichloro-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-1H-imidazo[4,5-b]pyridine has a molecular weight of 188.02 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 53438932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).