1-bromo-2-chloro-4-iodo-5-nitrobenzene

C6H2BrClINO2 — CID 50999507

IUPAC1-bromo-2-chloro-4-iodo-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)c(Cl)cc1I
InChIInChI=1S/C6H2BrClINO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
InChIKeyFAASTNUYSNSGHG-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.62
Rot. Bonds1

About 1-bromo-2-chloro-4-iodo-5-nitrobenzene

1-bromo-2-chloro-4-iodo-5-nitrobenzene (PubChem CID 50999507) has the molecular formula C6H2BrClINO2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-iodo-5-nitrobenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-iodo-5-nitrobenzene
PubChem CID50999507
Molecular FormulaC6H2BrClINO2
Molecular Weight362.35 g/mol
Exact Mass360.80
IUPAC Name1-bromo-2-chloro-4-iodo-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)c(Cl)cc1I
InChIInChI=1S/C6H2BrClINO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
InChIKeyFAASTNUYSNSGHG-UHFFFAOYSA-N
XLogP3.62
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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

1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643
(4-bromo-5-chloro-2-nitrophenyl)methanol
CID 131289970
1-chloro-2-(chloromethyl)-4-iodo-5-nitrobenzene
CID 171006891
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393
4-bromo-5-iodo-2-nitrobenzenethiol
CID 171001731
2-bromo-4-iodo-5-nitrobenzoic acid
CID 130624780
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858
sodium;1-bromo-2-chloro-5-fluoro-4-nitrobenzene;methanolate
CID 67469276

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-iodo-5-nitrobenzene?
The IUPAC name of 1-bromo-2-chloro-4-iodo-5-nitrobenzene (CID 50999507) is 1-bromo-2-chloro-4-iodo-5-nitrobenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-iodo-5-nitrobenzene?
The canonical SMILES for 1-bromo-2-chloro-4-iodo-5-nitrobenzene is O=[N+]([O-])c1cc(Br)c(Cl)cc1I.
What is the InChIKey of 1-bromo-2-chloro-4-iodo-5-nitrobenzene?
The InChIKey is FAASTNUYSNSGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClINO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H.
What are the key properties of 1-bromo-2-chloro-4-iodo-5-nitrobenzene?
1-bromo-2-chloro-4-iodo-5-nitrobenzene has a molecular weight of 362.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-iodo-5-nitrobenzene is sourced from PubChem (CID 50999507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).