5-bromo-3-hydroxy-4aH-quinolin-2-one

C9H6BrNO2 — CID 78166399

IUPAC5-bromo-3-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=CC=C(Br)C2C=C1O
InChIInChI=1S/C9H6BrNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-5,12H
InChIKeyHNIPVZCCCANBPL-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.87
Rot. Bonds

About 5-bromo-3-hydroxy-4aH-quinolin-2-one

5-bromo-3-hydroxy-4aH-quinolin-2-one (PubChem CID 78166399) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-4aH-quinolin-2-one
PubChem CID78166399
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name5-bromo-3-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=CC=C(Br)C2C=C1O
InChIInChI=1S/C9H6BrNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-5,12H
InChIKeyHNIPVZCCCANBPL-UHFFFAOYSA-N
XLogP1.87
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluoro-3-hydroxy-4aH-quinolin-2-one
CID 74043679
4-bromo-4aH-quinolin-2-one
CID 71303285
8-bromo-4aH-quinolin-2-one
CID 71304083
6-bromo-4-hydroxy-4aH-quinolin-2-one
CID 71650441
6-bromo-4aH-quinolin-2-one
CID 71650442
7-bromo-4aH-quinolin-2-one
CID 72218687
5-bromo-4aH-quinolin-2-one
CID 72218702
3-hydroxy-4aH-quinolin-2-one
CID 73455986
3-hydroxy-5-methyl-4aH-quinolin-2-one
CID 73801996
3-Hydroxy-6-methylidenequinolin-2-one
CID 74377236
3-hydroxy-7-methyl-4aH-quinolin-2-one
CID 74936429
3-bromo-4-hydroxy-4aH-quinolin-2-one
CID 76169157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-4aH-quinolin-2-one?
The IUPAC name of 5-bromo-3-hydroxy-4aH-quinolin-2-one (CID 78166399) is 5-bromo-3-hydroxy-4aH-quinolin-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-4aH-quinolin-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-4aH-quinolin-2-one is O=C1N=C2C=CC=C(Br)C2C=C1O.
What is the InChIKey of 5-bromo-3-hydroxy-4aH-quinolin-2-one?
The InChIKey is HNIPVZCCCANBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-5,12H.
What are the key properties of 5-bromo-3-hydroxy-4aH-quinolin-2-one?
5-bromo-3-hydroxy-4aH-quinolin-2-one has a molecular weight of 240.06 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-4aH-quinolin-2-one is sourced from PubChem (CID 78166399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).