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

C8H8ClN3O — CID 767491

IUPAC6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2ncc(Cl)cc21
InChIInChI=1S/C8H8ClN3O/c1-11-6-3-5(9)4-10-7(6)12(2)8(11)13/h3-4H,1-2H3
InChIKeyTYEATTAFFFVPHE-UHFFFAOYSA-N
MW197.62 g/mol
LogP0.93
Rot. Bonds

About 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one

6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one (PubChem CID 767491) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one
PubChem CID767491
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2ncc(Cl)cc21
InChIInChI=1S/C8H8ClN3O/c1-11-6-3-5(9)4-10-7(6)12(2)8(11)13/h3-4H,1-2H3
InChIKeyTYEATTAFFFVPHE-UHFFFAOYSA-N
XLogP0.93
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one (CID 767491) is 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C)c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is TYEATTAFFFVPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-11-6-3-5(9)4-10-7(6)12(2)8(11)13/h3-4H,1-2H3.
What are the key properties of 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 197.62 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 767491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).