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

C12H13Cl2N3 — CID 113360917

IUPAC5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine
SMILESCC1(c2nc3nc(Cl)c(Cl)cc3[nH]2)CCCC1
InChIInChI=1S/C12H13Cl2N3/c1-12(4-2-3-5-12)11-15-8-6-7(13)9(14)16-10(8)17-11/h6H,2-5H2,1H3,(H,15,16,17)
InChIKeyUWAKBHLTPFJNAR-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.10
Rot. Bonds1

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

5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 113360917) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine
PubChem CID113360917
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine
SMILESCC1(c2nc3nc(Cl)c(Cl)cc3[nH]2)CCCC1
InChIInChI=1S/C12H13Cl2N3/c1-12(4-2-3-5-12)11-15-8-6-7(13)9(14)16-10(8)17-11/h6H,2-5H2,1H3,(H,15,16,17)
InChIKeyUWAKBHLTPFJNAR-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.10
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-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine (CID 113360917) is 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine is CC1(c2nc3nc(Cl)c(Cl)cc3[nH]2)CCCC1.
What is the InChIKey of 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is UWAKBHLTPFJNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-12(4-2-3-5-12)11-15-8-6-7(13)9(14)16-10(8)17-11/h6H,2-5H2,1H3,(H,15,16,17).
What are the key properties of 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 270.16 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 113360917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).