8-bromo-1H-quinolin-2-one

C9H6BrNO — CID 10933094

IUPAC8-bromo-1H-quinolin-2-one
SMILESO=c1ccc2cccc(Br)c2[nH]1
InChIInChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
InChIKeyHGJBIJWBYATVQY-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.29
Rot. Bonds

About 8-bromo-1H-quinolin-2-one

8-bromo-1H-quinolin-2-one (PubChem CID 10933094) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 8-bromo-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1H-quinolin-2-one
PubChem CID10933094
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name8-bromo-1H-quinolin-2-one
SMILESO=c1ccc2cccc(Br)c2[nH]1
InChIInChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
InChIKeyHGJBIJWBYATVQY-UHFFFAOYSA-N
XLogP2.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1H-quinolin-2-one?
The IUPAC name of 8-bromo-1H-quinolin-2-one (CID 10933094) is 8-bromo-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-1H-quinolin-2-one is O=c1ccc2cccc(Br)c2[nH]1.
What is the InChIKey of 8-bromo-1H-quinolin-2-one?
The InChIKey is HGJBIJWBYATVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12).
What are the key properties of 8-bromo-1H-quinolin-2-one?
8-bromo-1H-quinolin-2-one has a molecular weight of 224.06 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1H-quinolin-2-one is sourced from PubChem (CID 10933094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).