6-chloro-1-phenylpyridin-2-one

C11H8ClNO — CID 13433090

IUPAC6-chloro-1-phenylpyridin-2-one
SMILESO=c1cccc(Cl)n1-c1ccccc1
InChIInChI=1S/C11H8ClNO/c12-10-7-4-8-11(14)13(10)9-5-2-1-3-6-9/h1-8H
InChIKeyLDZIHHDRHPNEPB-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.49
Rot. Bonds1

About 6-chloro-1-phenylpyridin-2-one

6-chloro-1-phenylpyridin-2-one (PubChem CID 13433090) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 6-chloro-1-phenylpyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-phenylpyridin-2-one
PubChem CID13433090
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name6-chloro-1-phenylpyridin-2-one
SMILESO=c1cccc(Cl)n1-c1ccccc1
InChIInChI=1S/C11H8ClNO/c12-10-7-4-8-11(14)13(10)9-5-2-1-3-6-9/h1-8H
InChIKeyLDZIHHDRHPNEPB-UHFFFAOYSA-N
XLogP2.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylpyridin-2-one?
The IUPAC name of 6-chloro-1-phenylpyridin-2-one (CID 13433090) is 6-chloro-1-phenylpyridin-2-one.
What is the SMILES notation for 6-chloro-1-phenylpyridin-2-one?
The canonical SMILES for 6-chloro-1-phenylpyridin-2-one is O=c1cccc(Cl)n1-c1ccccc1.
What is the InChIKey of 6-chloro-1-phenylpyridin-2-one?
The InChIKey is LDZIHHDRHPNEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-10-7-4-8-11(14)13(10)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 6-chloro-1-phenylpyridin-2-one?
6-chloro-1-phenylpyridin-2-one has a molecular weight of 205.64 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-phenylpyridin-2-one is sourced from PubChem (CID 13433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).