5-nitroquinolin-6-ol

C9H6N2O3 — CID 3997706

IUPAC5-nitroquinolin-6-ol
SMILESO=[N+]([O-])c1c(O)ccc2ncccc12
InChIInChI=1S/C9H6N2O3/c12-8-4-3-7-6(2-1-5-10-7)9(8)11(13)14/h1-5,12H
InChIKeyVNTMHRXHQYOVLK-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.85
Rot. Bonds1

About 5-nitroquinolin-6-ol

5-nitroquinolin-6-ol (PubChem CID 3997706) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 5-nitroquinolin-6-ol.

Molecular Properties

Compound Name5-nitroquinolin-6-ol
PubChem CID3997706
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name5-nitroquinolin-6-ol
SMILESO=[N+]([O-])c1c(O)ccc2ncccc12
InChIInChI=1S/C9H6N2O3/c12-8-4-3-7-6(2-1-5-10-7)9(8)11(13)14/h1-5,12H
InChIKeyVNTMHRXHQYOVLK-UHFFFAOYSA-N
XLogP1.85
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.85
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

5,6-dinitroquinoline
CID 119087514
6-iodo-5-nitroquinoline
CID 119093453
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
2-(5-nitroquinolin-6-yl)oxyacetic acid
CID 114335171
2-(5-nitroquinolin-6-yl)sulfanylpropanoic acid
CID 43809945
1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-one
CID 55163543
nitric acid;1,7-phenanthroline
CID 175111698
2-[methyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 43809826
N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
CID 61366971
ethyl 2-(5-nitroquinolin-6-yl)acetate
CID 53419418
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
CID 79360124
6-(2-chloroethylsulfanyl)-5-nitroquinoline
CID 43810014

Frequently Asked Questions

What is the IUPAC name of 5-nitroquinolin-6-ol?
The IUPAC name of 5-nitroquinolin-6-ol (CID 3997706) is 5-nitroquinolin-6-ol.
What is the SMILES notation for 5-nitroquinolin-6-ol?
The canonical SMILES for 5-nitroquinolin-6-ol is O=[N+]([O-])c1c(O)ccc2ncccc12.
What is the InChIKey of 5-nitroquinolin-6-ol?
The InChIKey is VNTMHRXHQYOVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-4-3-7-6(2-1-5-10-7)9(8)11(13)14/h1-5,12H.
What are the key properties of 5-nitroquinolin-6-ol?
5-nitroquinolin-6-ol has a molecular weight of 190.16 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroquinolin-6-ol is sourced from PubChem (CID 3997706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).