6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one

C13H14ClN3O2 — CID 167506034

IUPAC6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(C2CCC(=O)CC2)c2cc(Cl)ncc21
InChIInChI=1S/C13H14ClN3O2/c1-16-11-7-15-12(14)6-10(11)17(13(16)19)8-2-4-9(18)5-3-8/h6-8H,2-5H2,1H3
InChIKeyMSFWYUMKYUTQQL-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.07
Rot. Bonds1

About 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one

6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 167506034) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one
PubChem CID167506034
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(C2CCC(=O)CC2)c2cc(Cl)ncc21
InChIInChI=1S/C13H14ClN3O2/c1-16-11-7-15-12(14)6-10(11)17(13(16)19)8-2-4-9(18)5-3-8/h6-8H,2-5H2,1H3
InChIKeyMSFWYUMKYUTQQL-UHFFFAOYSA-N
XLogP2.07
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one (CID 167506034) is 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one is Cn1c(=O)n(C2CCC(=O)CC2)c2cc(Cl)ncc21.
What is the InChIKey of 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is MSFWYUMKYUTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-16-11-7-15-12(14)6-10(11)17(13(16)19)8-2-4-9(18)5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one?
6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 279.73 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(4-oxocyclohexyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 167506034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).