5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

C9H10BrN3O — CID 84708701

IUPAC5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(Br)nc21
InChIInChI=1S/C9H10BrN3O/c1-5(2)13-8-6(11-9(13)14)3-4-7(10)12-8/h3-5H,1-2H3,(H,11,14)
InChIKeyUWLQODVTRWLXPO-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.07
Rot. Bonds1

About 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 84708701) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID84708701
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(Br)nc21
InChIInChI=1S/C9H10BrN3O/c1-5(2)13-8-6(11-9(13)14)3-4-7(10)12-8/h3-5H,1-2H3,(H,11,14)
InChIKeyUWLQODVTRWLXPO-UHFFFAOYSA-N
XLogP2.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.07
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 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (CID 84708701) is 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is CC(C)n1c(=O)[nH]c2ccc(Br)nc21.
What is the InChIKey of 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is UWLQODVTRWLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-5(2)13-8-6(11-9(13)14)3-4-7(10)12-8/h3-5H,1-2H3,(H,11,14).
What are the key properties of 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 84708701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).