3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one

C12H8ClN3O — CID 4516831

IUPAC3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O/c13-8-3-5-9(6-4-8)16-11-10(15-12(16)17)2-1-7-14-11/h1-7H,(H,15,17)
InChIKeyKLHPWBJQCGZDKR-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.37
Rot. Bonds1

About 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 4516831) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID4516831
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O/c13-8-3-5-9(6-4-8)16-11-10(15-12(16)17)2-1-7-14-11/h1-7H,(H,15,17)
InChIKeyKLHPWBJQCGZDKR-UHFFFAOYSA-N
XLogP2.37
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 4516831) is 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cccnc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KLHPWBJQCGZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-3-5-9(6-4-8)16-11-10(15-12(16)17)2-1-7-14-11/h1-7H,(H,15,17).
What are the key properties of 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 245.67 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 4516831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).