1-bromo-4H-quinolizin-2-ol

C9H8BrNO — CID 171976071

IUPAC1-bromo-4H-quinolizin-2-ol
SMILESOC1=CCN2C=CC=CC2=C1Br
InChIInChI=1S/C9H8BrNO/c10-9-7-3-1-2-5-11(7)6-4-8(9)12/h1-5,12H,6H2
InChIKeyFZTWTMSTWDWZMX-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.43
Rot. Bonds

About 1-bromo-4H-quinolizin-2-ol

1-bromo-4H-quinolizin-2-ol (PubChem CID 171976071) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 1-bromo-4H-quinolizin-2-ol.

Molecular Properties

Compound Name1-bromo-4H-quinolizin-2-ol
PubChem CID171976071
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name1-bromo-4H-quinolizin-2-ol
SMILESOC1=CCN2C=CC=CC2=C1Br
InChIInChI=1S/C9H8BrNO/c10-9-7-3-1-2-5-11(7)6-4-8(9)12/h1-5,12H,6H2
InChIKeyFZTWTMSTWDWZMX-UHFFFAOYSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4H-quinolizin-2-ol?
The IUPAC name of 1-bromo-4H-quinolizin-2-ol (CID 171976071) is 1-bromo-4H-quinolizin-2-ol.
What is the SMILES notation for 1-bromo-4H-quinolizin-2-ol?
The canonical SMILES for 1-bromo-4H-quinolizin-2-ol is OC1=CCN2C=CC=CC2=C1Br.
What is the InChIKey of 1-bromo-4H-quinolizin-2-ol?
The InChIKey is FZTWTMSTWDWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-9-7-3-1-2-5-11(7)6-4-8(9)12/h1-5,12H,6H2.
What are the key properties of 1-bromo-4H-quinolizin-2-ol?
1-bromo-4H-quinolizin-2-ol has a molecular weight of 226.07 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4H-quinolizin-2-ol is sourced from PubChem (CID 171976071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).