4-chloro-6-iodo-3-nitroquinoline

C9H4ClIN2O2 — CID 67470126

IUPAC4-chloro-6-iodo-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccc(I)cc2c1Cl
InChIInChI=1S/C9H4ClIN2O2/c10-9-6-3-5(11)1-2-7(6)12-4-8(9)13(14)15/h1-4H
InChIKeyLKZNJZYVZCFISW-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.40
Rot. Bonds1

About 4-chloro-6-iodo-3-nitroquinoline

4-chloro-6-iodo-3-nitroquinoline (PubChem CID 67470126) has the molecular formula C9H4ClIN2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 4-chloro-6-iodo-3-nitroquinoline.

Molecular Properties

Compound Name4-chloro-6-iodo-3-nitroquinoline
PubChem CID67470126
Molecular FormulaC9H4ClIN2O2
Molecular Weight334.50 g/mol
Exact Mass333.90
IUPAC Name4-chloro-6-iodo-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccc(I)cc2c1Cl
InChIInChI=1S/C9H4ClIN2O2/c10-9-6-3-5(11)1-2-7(6)12-4-8(9)13(14)15/h1-4H
InChIKeyLKZNJZYVZCFISW-UHFFFAOYSA-N
XLogP3.40
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-iodo-3-nitroquinoline?
The IUPAC name of 4-chloro-6-iodo-3-nitroquinoline (CID 67470126) is 4-chloro-6-iodo-3-nitroquinoline.
What is the SMILES notation for 4-chloro-6-iodo-3-nitroquinoline?
The canonical SMILES for 4-chloro-6-iodo-3-nitroquinoline is O=[N+]([O-])c1cnc2ccc(I)cc2c1Cl.
What is the InChIKey of 4-chloro-6-iodo-3-nitroquinoline?
The InChIKey is LKZNJZYVZCFISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClIN2O2/c10-9-6-3-5(11)1-2-7(6)12-4-8(9)13(14)15/h1-4H.
What are the key properties of 4-chloro-6-iodo-3-nitroquinoline?
4-chloro-6-iodo-3-nitroquinoline has a molecular weight of 334.50 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-iodo-3-nitroquinoline is sourced from PubChem (CID 67470126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).