6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one

C9H9ClN2O — CID 59682243

IUPAC6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one
SMILESCC1(C)C(=O)N=C2C=CC(Cl)=CN21
InChIInChI=1S/C9H9ClN2O/c1-9(2)8(13)11-7-4-3-6(10)5-12(7)9/h3-5H,1-2H3
InChIKeyHHLHAHSJLWVNSZ-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.66
Rot. Bonds

About 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one

6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one (PubChem CID 59682243) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one
PubChem CID59682243
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one
SMILESCC1(C)C(=O)N=C2C=CC(Cl)=CN21
InChIInChI=1S/C9H9ClN2O/c1-9(2)8(13)11-7-4-3-6(10)5-12(7)9/h3-5H,1-2H3
InChIKeyHHLHAHSJLWVNSZ-UHFFFAOYSA-N
XLogP1.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
The IUPAC name of 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one (CID 59682243) is 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one is CC1(C)C(=O)N=C2C=CC(Cl)=CN21.
What is the InChIKey of 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
The InChIKey is HHLHAHSJLWVNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-9(2)8(13)11-7-4-3-6(10)5-12(7)9/h3-5H,1-2H3.
What are the key properties of 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one has a molecular weight of 196.64 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-dimethylimidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 59682243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).