5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C6H4ClN3O — CID 20587804

IUPAC5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(Cl)nc2[nH]1
InChIInChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2H,(H2,8,9,10,11)
InChIKeyXJFIKRXIJXAJGH-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.90
Rot. Bonds

About 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 20587804) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID20587804
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(Cl)nc2[nH]1
InChIInChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2H,(H2,8,9,10,11)
InChIKeyXJFIKRXIJXAJGH-UHFFFAOYSA-N
XLogP0.90
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.90
H-Bond Donors ≤ 52
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-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 20587804) is 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ccc(Cl)nc2[nH]1.
What is the InChIKey of 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is XJFIKRXIJXAJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2H,(H2,8,9,10,11).
What are the key properties of 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 169.57 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 20587804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).