6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one

C10H10ClN3O — CID 89006730

IUPAC6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESC=C(C)Cn1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C10H10ClN3O/c1-6(2)5-14-8-3-7(11)4-12-9(8)13-10(14)15/h3-4H,1,5H2,2H3,(H,12,13,15)
InChIKeyNNRPGOJQBGTQTE-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.95
Rot. Bonds2

About 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 89006730) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID89006730
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESC=C(C)Cn1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C10H10ClN3O/c1-6(2)5-14-8-3-7(11)4-12-9(8)13-10(14)15/h3-4H,1,5H2,2H3,(H,12,13,15)
InChIKeyNNRPGOJQBGTQTE-UHFFFAOYSA-N
XLogP1.95
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 89006730) is 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one is C=C(C)Cn1c(=O)[nH]c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is NNRPGOJQBGTQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6(2)5-14-8-3-7(11)4-12-9(8)13-10(14)15/h3-4H,1,5H2,2H3,(H,12,13,15).
What are the key properties of 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 223.66 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methylprop-2-enyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 89006730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).