5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane

C12H11Br2NO2 — CID 145281378

IUPAC5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc2c(Br)cc(Br)c(O)c2n1
InChIInChI=1S/C10H5Br2NO2.C2H6/c11-7-3-8(12)10(15)9-6(7)2-1-5(4-14)13-9;1-2/h1-4,15H;1-2H3
InChIKeyZNANUVWZIOOCOB-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.30
Rot. Bonds1

About 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane

5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane (PubChem CID 145281378) has the molecular formula C12H11Br2NO2 and a molecular weight of 361.03 g/mol. Its IUPAC name is 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane.

Molecular Properties

Compound Name5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane
PubChem CID145281378
Molecular FormulaC12H11Br2NO2
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc2c(Br)cc(Br)c(O)c2n1
InChIInChI=1S/C10H5Br2NO2.C2H6/c11-7-3-8(12)10(15)9-6(7)2-1-5(4-14)13-9;1-2/h1-4,15H;1-2H3
InChIKeyZNANUVWZIOOCOB-UHFFFAOYSA-N
XLogP4.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;5-hydroxy-4,7-phenanthroline-3,8-dicarbaldehyde;methane
CID 142879404
5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde
CID 97036774
5,8-dichloroquinoline-2-carbaldehyde
CID 82242447
7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide
CID 118706561
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 135557835
5-bromo-6-(hydroxymethyl)quinoline-2-carbaldehyde
CID 58506614
5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde
CID 167456756
5,7-dibromo-2-ethylquinolin-8-ol;2-ethyl-8-methoxyquinoline;2-ethylquinolin-8-ol;8-methoxy-2-methylquinoline
CID 160831320
6-bromo-5-hydroxy-4-iodopyridine-2-carbaldehyde
CID 71299111
2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 136765269
8-fluoro-7-methoxyquinoline-2-carbaldehyde
CID 89158464
5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol;5,7-dichloro-2-(ethylaminomethyl)quinolin-8-ol;5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde;5,7-dichloro-2-methylquinolin-8-ol;dihydrochloride
CID 159345939

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane?
The IUPAC name of 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane (CID 145281378) is 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane.
What is the SMILES notation for 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane?
The canonical SMILES for 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane is CC.O=Cc1ccc2c(Br)cc(Br)c(O)c2n1.
What is the InChIKey of 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane?
The InChIKey is ZNANUVWZIOOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2NO2.C2H6/c11-7-3-8(12)10(15)9-6(7)2-1-5(4-14)13-9;1-2/h1-4,15H;1-2H3.
What are the key properties of 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane?
5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane has a molecular weight of 361.03 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-8-hydroxyquinoline-2-carbaldehyde;ethane is sourced from PubChem (CID 145281378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).