6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one

C9H7ClN2O2 — CID 100645797

IUPAC6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one
SMILESO=c1cccc(Cl)n1Cc1ccon1
InChIInChI=1S/C9H7ClN2O2/c10-8-2-1-3-9(13)12(8)6-7-4-5-14-11-7/h1-5H,6H2
InChIKeyYQCAROCUPXYLOP-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.54
Rot. Bonds2

About 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one

6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one (PubChem CID 100645797) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one
PubChem CID100645797
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one
SMILESO=c1cccc(Cl)n1Cc1ccon1
InChIInChI=1S/C9H7ClN2O2/c10-8-2-1-3-9(13)12(8)6-7-4-5-14-11-7/h1-5H,6H2
InChIKeyYQCAROCUPXYLOP-UHFFFAOYSA-N
XLogP1.54
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one?
The IUPAC name of 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one (CID 100645797) is 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one is O=c1cccc(Cl)n1Cc1ccon1.
What is the InChIKey of 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one?
The InChIKey is YQCAROCUPXYLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-8-2-1-3-9(13)12(8)6-7-4-5-14-11-7/h1-5H,6H2.
What are the key properties of 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one?
6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one has a molecular weight of 210.62 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(1,2-oxazol-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 100645797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).