3-chloro-6-phenyl-1H-pyridin-2-one

C11H8ClNO — CID 130883515

IUPAC3-chloro-6-phenyl-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2ccccc2)ccc1Cl
InChIInChI=1S/C11H8ClNO/c12-9-6-7-10(13-11(9)14)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeyJEMYEJRGRVYYSE-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.70
Rot. Bonds1

About 3-chloro-6-phenyl-1H-pyridin-2-one

3-chloro-6-phenyl-1H-pyridin-2-one (PubChem CID 130883515) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 3-chloro-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-phenyl-1H-pyridin-2-one
PubChem CID130883515
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name3-chloro-6-phenyl-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2ccccc2)ccc1Cl
InChIInChI=1S/C11H8ClNO/c12-9-6-7-10(13-11(9)14)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeyJEMYEJRGRVYYSE-UHFFFAOYSA-N
XLogP2.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-phenyl-1H-pyridin-2-one (CID 130883515) is 3-chloro-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-phenyl-1H-pyridin-2-one is O=c1[nH]c(-c2ccccc2)ccc1Cl.
What is the InChIKey of 3-chloro-6-phenyl-1H-pyridin-2-one?
The InChIKey is JEMYEJRGRVYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-9-6-7-10(13-11(9)14)8-4-2-1-3-5-8/h1-7H,(H,13,14).
What are the key properties of 3-chloro-6-phenyl-1H-pyridin-2-one?
3-chloro-6-phenyl-1H-pyridin-2-one has a molecular weight of 205.64 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 130883515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).