1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

C7H9Cl2N3O — CID 141325245

IUPAC1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)[nH]c2ncccc21
InChIInChI=1S/C7H7N3O.2ClH/c1-10-5-3-2-4-8-6(5)9-7(10)11;;/h2-4H,1H3,(H,8,9,11);2*1H
InChIKeyOZDJXXVEUSTFKE-UHFFFAOYSA-N
MW222.08 g/mol
LogP1.11
Rot. Bonds

About 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride (PubChem CID 141325245) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.08 g/mol. Its IUPAC name is 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
PubChem CID141325245
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)[nH]c2ncccc21
InChIInChI=1S/C7H7N3O.2ClH/c1-10-5-3-2-4-8-6(5)9-7(10)11;;/h2-4H,1H3,(H,8,9,11);2*1H
InChIKeyOZDJXXVEUSTFKE-UHFFFAOYSA-N
XLogP1.11
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 149126785
1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 154242312
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
1,6-dimethyl-3H-imidazo[4,5-b]pyridin-2-one
CID 14929590
1-(3-hydroxycyclobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 175822352
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 163602152
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
2,7-dimethyl-9H-purin-8-one
CID 170617513
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 170742162
2-chloro-7-methyl-9H-purin-8-one
CID 88548661
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
The IUPAC name of 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride (CID 141325245) is 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride.
What is the SMILES notation for 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
The canonical SMILES for 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride is Cl.Cl.Cn1c(=O)[nH]c2ncccc21.
What is the InChIKey of 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
The InChIKey is OZDJXXVEUSTFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.2ClH/c1-10-5-3-2-4-8-6(5)9-7(10)11;;/h2-4H,1H3,(H,8,9,11);2*1H.
What are the key properties of 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride has a molecular weight of 222.08 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride is sourced from PubChem (CID 141325245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).