2,3-dibromoquinolin-8-ol

C9H5Br2NO — CID 23290128

IUPAC2,3-dibromoquinolin-8-ol
SMILESOc1cccc2cc(Br)c(Br)nc12
InChIInChI=1S/C9H5Br2NO/c10-6-4-5-2-1-3-7(13)8(5)12-9(6)11/h1-4,13H
InChIKeyFZEKGKTXCROHHC-UHFFFAOYSA-N
MW302.95 g/mol
LogP3.47
Rot. Bonds

About 2,3-dibromoquinolin-8-ol

2,3-dibromoquinolin-8-ol (PubChem CID 23290128) has the molecular formula C9H5Br2NO and a molecular weight of 302.95 g/mol. Its IUPAC name is 2,3-dibromoquinolin-8-ol.

Molecular Properties

Compound Name2,3-dibromoquinolin-8-ol
PubChem CID23290128
Molecular FormulaC9H5Br2NO
Molecular Weight302.95 g/mol
Exact Mass300.87
IUPAC Name2,3-dibromoquinolin-8-ol
SMILESOc1cccc2cc(Br)c(Br)nc12
InChIInChI=1S/C9H5Br2NO/c10-6-4-5-2-1-3-7(13)8(5)12-9(6)11/h1-4,13H
InChIKeyFZEKGKTXCROHHC-UHFFFAOYSA-N
XLogP3.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.95
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromoquinolin-8-ol?
The IUPAC name of 2,3-dibromoquinolin-8-ol (CID 23290128) is 2,3-dibromoquinolin-8-ol.
What is the SMILES notation for 2,3-dibromoquinolin-8-ol?
The canonical SMILES for 2,3-dibromoquinolin-8-ol is Oc1cccc2cc(Br)c(Br)nc12.
What is the InChIKey of 2,3-dibromoquinolin-8-ol?
The InChIKey is FZEKGKTXCROHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO/c10-6-4-5-2-1-3-7(13)8(5)12-9(6)11/h1-4,13H.
What are the key properties of 2,3-dibromoquinolin-8-ol?
2,3-dibromoquinolin-8-ol has a molecular weight of 302.95 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromoquinolin-8-ol is sourced from PubChem (CID 23290128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).