7-bromo-5-nitroquinolin-8-ol

C9H5BrN2O3 — CID 14125599

IUPAC7-bromo-5-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1cc(Br)c(O)c2ncccc12
InChIInChI=1S/C9H5BrN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H
InChIKeyZHAQCRBRMYTJHJ-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.61
Rot. Bonds1

About 7-bromo-5-nitroquinolin-8-ol

7-bromo-5-nitroquinolin-8-ol (PubChem CID 14125599) has the molecular formula C9H5BrN2O3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 7-bromo-5-nitroquinolin-8-ol.

Molecular Properties

Compound Name7-bromo-5-nitroquinolin-8-ol
PubChem CID14125599
Molecular FormulaC9H5BrN2O3
Molecular Weight269.05 g/mol
Exact Mass267.95
IUPAC Name7-bromo-5-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1cc(Br)c(O)c2ncccc12
InChIInChI=1S/C9H5BrN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H
InChIKeyZHAQCRBRMYTJHJ-UHFFFAOYSA-N
XLogP2.61
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-nitroquinolin-8-ol
CID 171983224
5-(difluoromethyl)-7-nitroquinolin-8-ol
CID 171471368
4-bromo-2-nitronaphthalen-1-ol
CID 11572534
N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
CID 171343179
3-bromo-N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]benzamide
CID 137172039
dichloropalladium;5-nitro-1,10-phenanthroline
CID 5030888
5-bromo-8-methyl-6-nitroquinoline
CID 11207866
7-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-nitroquinolin-8-ol
CID 131987064
5-nitroquinoline-8-carboxylic acid
CID 15405331
2-(5,7-dinitroquinolin-8-yl)sulfanylethanol
CID 2827611
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-nitroquinolin-8-ol?
The IUPAC name of 7-bromo-5-nitroquinolin-8-ol (CID 14125599) is 7-bromo-5-nitroquinolin-8-ol.
What is the SMILES notation for 7-bromo-5-nitroquinolin-8-ol?
The canonical SMILES for 7-bromo-5-nitroquinolin-8-ol is O=[N+]([O-])c1cc(Br)c(O)c2ncccc12.
What is the InChIKey of 7-bromo-5-nitroquinolin-8-ol?
The InChIKey is ZHAQCRBRMYTJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H.
What are the key properties of 7-bromo-5-nitroquinolin-8-ol?
7-bromo-5-nitroquinolin-8-ol has a molecular weight of 269.05 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-nitroquinolin-8-ol is sourced from PubChem (CID 14125599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).