6-iodo-5-nitroquinoline

C9H5IN2O2 — CID 119093453

IUPAC6-iodo-5-nitroquinoline
SMILESO=[N+]([O-])c1c(I)ccc2ncccc12
InChIInChI=1S/C9H5IN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
InChIKeyUXQLQLDNGDWXMA-UHFFFAOYSA-N
MW300.06 g/mol
LogP2.75
Rot. Bonds1

About 6-iodo-5-nitroquinoline

6-iodo-5-nitroquinoline (PubChem CID 119093453) has the molecular formula C9H5IN2O2 and a molecular weight of 300.06 g/mol. Its IUPAC name is 6-iodo-5-nitroquinoline.

Molecular Properties

Compound Name6-iodo-5-nitroquinoline
PubChem CID119093453
Molecular FormulaC9H5IN2O2
Molecular Weight300.06 g/mol
Exact Mass299.94
IUPAC Name6-iodo-5-nitroquinoline
SMILESO=[N+]([O-])c1c(I)ccc2ncccc12
InChIInChI=1S/C9H5IN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
InChIKeyUXQLQLDNGDWXMA-UHFFFAOYSA-N
XLogP2.75
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.06
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-iodo-5-nitroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dinitroquinoline
CID 119087514
5-nitroquinolin-6-ol
CID 3997706
7-iodo-8-nitroquinoline
CID 133062974
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
2-(5-nitroquinolin-6-yl)oxyacetic acid
CID 114335171
6-(2-chloroethylsulfanyl)-5-nitroquinoline
CID 43810014
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
CID 79360124
6-(1-chloropropan-2-ylsulfanyl)-5-nitroquinoline
CID 113373866
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

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-nitroquinoline?
The IUPAC name of 6-iodo-5-nitroquinoline (CID 119093453) is 6-iodo-5-nitroquinoline.
What is the SMILES notation for 6-iodo-5-nitroquinoline?
The canonical SMILES for 6-iodo-5-nitroquinoline is O=[N+]([O-])c1c(I)ccc2ncccc12.
What is the InChIKey of 6-iodo-5-nitroquinoline?
The InChIKey is UXQLQLDNGDWXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H.
What are the key properties of 6-iodo-5-nitroquinoline?
6-iodo-5-nitroquinoline has a molecular weight of 300.06 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-nitroquinoline is sourced from PubChem (CID 119093453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).