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

C15H13Cl2N3 — CID 103977550

IUPAC5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H13Cl2N3/c1-8(2)9-3-5-10(6-4-9)14-18-12-7-11(16)13(17)19-15(12)20-14/h3-8H,1-2H3,(H,18,19,20)
InChIKeyBLAXICFQCXIKJR-UHFFFAOYSA-N
MW306.20 g/mol
LogP5.06
Rot. Bonds2

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

5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103977550) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID103977550
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H13Cl2N3/c1-8(2)9-3-5-10(6-4-9)14-18-12-7-11(16)13(17)19-15(12)20-14/h3-8H,1-2H3,(H,18,19,20)
InChIKeyBLAXICFQCXIKJR-UHFFFAOYSA-N
XLogP5.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.20
LogP ≤ 55.06
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-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine (CID 103977550) is 5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine is CC(C)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is BLAXICFQCXIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-8(2)9-3-5-10(6-4-9)14-18-12-7-11(16)13(17)19-15(12)20-14/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 306.20 g/mol, XLogP of 5.06, 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-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).