4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one

C7H6ClN3O — CID 911360

IUPAC4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)[nH]c2c(Cl)nccc21
InChIInChI=1S/C7H6ClN3O/c1-11-4-2-3-9-6(8)5(4)10-7(11)12/h2-3H,1H3,(H,10,12)
InChIKeyDFVLZIVAHCEZHP-UHFFFAOYSA-N
MW183.60 g/mol
LogP0.92
Rot. Bonds

About 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one

4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 911360) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID911360
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)[nH]c2c(Cl)nccc21
InChIInChI=1S/C7H6ClN3O/c1-11-4-2-3-9-6(8)5(4)10-7(11)12/h2-3H,1H3,(H,10,12)
InChIKeyDFVLZIVAHCEZHP-UHFFFAOYSA-N
XLogP0.92
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one (CID 911360) is 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one is Cn1c(=O)[nH]c2c(Cl)nccc21.
What is the InChIKey of 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is DFVLZIVAHCEZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-11-4-2-3-9-6(8)5(4)10-7(11)12/h2-3H,1H3,(H,10,12).
What are the key properties of 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one?
4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-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 4-chloro-1-methyl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 911360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).