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

C11H8BrNO — CID 71267095

IUPAC3-(4-bromophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h1-7H,(H,13,14)
InChIKeySOXJTBYJMRZVKN-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.80
Rot. Bonds1

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

3-(4-bromophenyl)-1H-pyridin-2-one (PubChem CID 71267095) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1H-pyridin-2-one
PubChem CID71267095
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name3-(4-bromophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1ccc(Br)cc1
InChIInChI=1S/C11H8BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h1-7H,(H,13,14)
InChIKeySOXJTBYJMRZVKN-UHFFFAOYSA-N
XLogP2.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-bromophenyl)-1H-pyridin-2-one (CID 71267095) is 3-(4-bromophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-bromophenyl)-1H-pyridin-2-one is O=c1[nH]cccc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1H-pyridin-2-one?
The InChIKey is SOXJTBYJMRZVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h1-7H,(H,13,14).
What are the key properties of 3-(4-bromophenyl)-1H-pyridin-2-one?
3-(4-bromophenyl)-1H-pyridin-2-one has a molecular weight of 250.10 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 71267095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).