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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Related Compounds

1,3-Dihydroimidazo(4,5-b)pyridin-2-one
CID 519250
4-Chloro-1,3-dihydro-1-methyl-2H-imidazo[4,5-c]pyridin-2-one
CID 911360
6-Bromo-1,3-dimethyl-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 665048
1-Methyl-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 854236
2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-(2-pyridinyl)-
CID 3021477
1-cyclohexyl-1H,2H,3H-imidazo(4,5-b)pyridin-2-one
CID 59568642
1-[3-chloro-6-(1,4-diazepan-1-yl)-2-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 137651788
6-Chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 657849
11-Chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 5309887
US10343992, Example 267
CID 122590582
2H-Benzimidazol-2-one, 1,3-dihydro-1-ethyl-3-(2-pyridinyl)-
CID 3021478
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-pyrazinyl-
CID 3021486

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).