6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline

C9H9IN2O2 — CID 133055063

IUPAC6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1cc(I)cc2c1NCCC2
InChIInChI=1S/C9H9IN2O2/c10-7-4-6-2-1-3-11-9(6)8(5-7)12(13)14/h4-5,11H,1-3H2
InChIKeyCIDVOOFXDNXSMH-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.56
Rot. Bonds1

About 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline

6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline (PubChem CID 133055063) has the molecular formula C9H9IN2O2 and a molecular weight of 304.09 g/mol. Its IUPAC name is 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline
PubChem CID133055063
Molecular FormulaC9H9IN2O2
Molecular Weight304.09 g/mol
Exact Mass303.97
IUPAC Name6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1cc(I)cc2c1NCCC2
InChIInChI=1S/C9H9IN2O2/c10-7-4-6-2-1-3-11-9(6)8(5-7)12(13)14/h4-5,11H,1-3H2
InChIKeyCIDVOOFXDNXSMH-UHFFFAOYSA-N
XLogP2.56
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.56
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline (CID 133055063) is 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline is O=[N+]([O-])c1cc(I)cc2c1NCCC2.
What is the InChIKey of 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline?
The InChIKey is CIDVOOFXDNXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O2/c10-7-4-6-2-1-3-11-9(6)8(5-7)12(13)14/h4-5,11H,1-3H2.
What are the key properties of 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline?
6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline has a molecular weight of 304.09 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 133055063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).