7-iodo-8-nitroquinoline

C9H5IN2O2 — CID 133062974

IUPAC7-iodo-8-nitroquinoline
SMILESO=[N+]([O-])c1c(I)ccc2cccnc12
InChIInChI=1S/C9H5IN2O2/c10-7-4-3-6-2-1-5-11-8(6)9(7)12(13)14/h1-5H
InChIKeyQGVBKJMEVJJWKD-UHFFFAOYSA-N
MW300.06 g/mol
LogP2.75
Rot. Bonds1

About 7-iodo-8-nitroquinoline

7-iodo-8-nitroquinoline (PubChem CID 133062974) has the molecular formula C9H5IN2O2 and a molecular weight of 300.06 g/mol. Its IUPAC name is 7-iodo-8-nitroquinoline.

Molecular Properties

Compound Name7-iodo-8-nitroquinoline
PubChem CID133062974
Molecular FormulaC9H5IN2O2
Molecular Weight300.06 g/mol
Exact Mass299.94
IUPAC Name7-iodo-8-nitroquinoline
SMILESO=[N+]([O-])c1c(I)ccc2cccnc12
InChIInChI=1S/C9H5IN2O2/c10-7-4-3-6-2-1-5-11-8(6)9(7)12(13)14/h1-5H
InChIKeyQGVBKJMEVJJWKD-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'}

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Related Compounds

lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
6-iodo-5-nitroquinoline
CID 119093453
8-nitro-7-(2-phenylethyl)quinoline
CID 158250300
7-nitroquinolin-8-amine
CID 12663942
8-nitro-7-[nitroso(phenyl)methyl]quinoline
CID 126516699
nitric acid;1,7-phenanthroline
CID 175111698
6,7-dimethoxy-8-nitroquinoline
CID 616387
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
N-methyl-7-nitroquinolin-8-amine
CID 131339088
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of 7-iodo-8-nitroquinoline?
The IUPAC name of 7-iodo-8-nitroquinoline (CID 133062974) is 7-iodo-8-nitroquinoline.
What is the SMILES notation for 7-iodo-8-nitroquinoline?
The canonical SMILES for 7-iodo-8-nitroquinoline is O=[N+]([O-])c1c(I)ccc2cccnc12.
What is the InChIKey of 7-iodo-8-nitroquinoline?
The InChIKey is QGVBKJMEVJJWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN2O2/c10-7-4-3-6-2-1-5-11-8(6)9(7)12(13)14/h1-5H.
What are the key properties of 7-iodo-8-nitroquinoline?
7-iodo-8-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 7-iodo-8-nitroquinoline is sourced from PubChem (CID 133062974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).