6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one

C₇H₆ClN₃O — CID 156848171

About 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one

6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 156848171) has the molecular formula C₇H₆ClN₃O and a molecular weight of 183.60 g/mol. Its IUPAC name is 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

• Compound Name: 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one
• PubChem CID: 156848171
• Molecular Formula: C₇H₆ClN₃O
• Molecular Weight: 183.60 g/mol
• Exact Mass: 183.02
• IUPAC Name: 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one
• SMILES: Cn1cnc2cc(Cl)c(=O)[nH]c21
• InChI: InChI=1S/C7H6ClN3O/c1-11-3-9-5-2-4(8)7(12)10-6(5)11/h2-3H,1H3,(H,10,12)
• InChIKey: OKYVQABCFMYRSC-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 50.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.60
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one?

The IUPAC name of 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one (CID 156848171) is 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one.

What is the SMILES notation for 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one?

The canonical SMILES for 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one is Cn1cnc2cc(Cl)c(=O)[nH]c21.

What is the InChIKey of 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one?

The InChIKey is OKYVQABCFMYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-11-3-9-5-2-4(8)7(12)10-6(5)11/h2-3H,1H3,(H,10,12).

What are the key properties of 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one?

6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 183.60 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 156848171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156848171 — identifiers, structure, computed properties (public domain)

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