5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine

C15H11Cl2N3 — CID 103977352

IUPAC5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(C3CC3c3ccccc3)nc2nc1Cl
InChIInChI=1S/C15H11Cl2N3/c16-11-7-12-15(19-13(11)17)20-14(18-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,18,19,20)
InChIKeyAGZNKOOOGWEWIH-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.54
Rot. Bonds2

About 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103977352) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
PubChem CID103977352
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(C3CC3c3ccccc3)nc2nc1Cl
InChIInChI=1S/C15H11Cl2N3/c16-11-7-12-15(19-13(11)17)20-14(18-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,18,19,20)
InChIKeyAGZNKOOOGWEWIH-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.54
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-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine (CID 103977352) is 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(C3CC3c3ccccc3)nc2nc1Cl.
What is the InChIKey of 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AGZNKOOOGWEWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-11-7-12-15(19-13(11)17)20-14(18-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,18,19,20).
What are the key properties of 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 304.18 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).