2-(3-chlorophenyl)-1H-pyridin-4-one

C11H8ClNO — CID 53229265

IUPAC2-(3-chlorophenyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C11H8ClNO/c12-9-3-1-2-8(6-9)11-7-10(14)4-5-13-11/h1-7H,(H,13,14)
InChIKeyRGHGRBPJMYJMLJ-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.70
Rot. Bonds1

About 2-(3-chlorophenyl)-1H-pyridin-4-one

2-(3-chlorophenyl)-1H-pyridin-4-one (PubChem CID 53229265) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1H-pyridin-4-one
PubChem CID53229265
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name2-(3-chlorophenyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C11H8ClNO/c12-9-3-1-2-8(6-9)11-7-10(14)4-5-13-11/h1-7H,(H,13,14)
InChIKeyRGHGRBPJMYJMLJ-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 2-(3-chlorophenyl)-1H-pyridin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-1H-pyridin-4-one (CID 53229265) is 2-(3-chlorophenyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1H-pyridin-4-one?
The InChIKey is RGHGRBPJMYJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-9-3-1-2-8(6-9)11-7-10(14)4-5-13-11/h1-7H,(H,13,14).
What are the key properties of 2-(3-chlorophenyl)-1H-pyridin-4-one?
2-(3-chlorophenyl)-1H-pyridin-4-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 2-(3-chlorophenyl)-1H-pyridin-4-one is sourced from PubChem (CID 53229265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).