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

C6H2ClFINO2 — CID 131559689

IUPAC1-chloro-2-fluoro-5-iodo-4-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)c(Cl)cc1I
InChIInChI=1S/C6H2ClFINO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKeyCONYGFFSPKNHAD-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.99
Rot. Bonds1

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

1-chloro-2-fluoro-5-iodo-4-nitrobenzene (PubChem CID 131559689) has the molecular formula C6H2ClFINO2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-chloro-2-fluoro-5-iodo-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-5-iodo-4-nitrobenzene
PubChem CID131559689
Molecular FormulaC6H2ClFINO2
Molecular Weight301.44 g/mol
Exact Mass300.88
IUPAC Name1-chloro-2-fluoro-5-iodo-4-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)c(Cl)cc1I
InChIInChI=1S/C6H2ClFINO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKeyCONYGFFSPKNHAD-UHFFFAOYSA-N
XLogP2.99
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.99
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-bromo-2-chloro-4-iodo-5-nitrobenzene
CID 50999507
4-chloro-5-fluoro-2-nitroaniline
CID 10465141
(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643
1-chloro-2-(chloromethyl)-4-iodo-5-nitrobenzene
CID 171006891
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
4-chloro-5-fluoro-2-nitrobenzenesulfonamide
CID 66077255
2-chloro-3-fluoro-6-methyl-7-nitronaphthalene
CID 21366735
1-chloro-5-(5-chloro-2-fluoro-4-nitrophenyl)sulfanyl-4-fluoro-2-nitrobenzene
CID 175114073

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-5-iodo-4-nitrobenzene?
The IUPAC name of 1-chloro-2-fluoro-5-iodo-4-nitrobenzene (CID 131559689) is 1-chloro-2-fluoro-5-iodo-4-nitrobenzene.
What is the SMILES notation for 1-chloro-2-fluoro-5-iodo-4-nitrobenzene?
The canonical SMILES for 1-chloro-2-fluoro-5-iodo-4-nitrobenzene is O=[N+]([O-])c1cc(F)c(Cl)cc1I.
What is the InChIKey of 1-chloro-2-fluoro-5-iodo-4-nitrobenzene?
The InChIKey is CONYGFFSPKNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFINO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H.
What are the key properties of 1-chloro-2-fluoro-5-iodo-4-nitrobenzene?
1-chloro-2-fluoro-5-iodo-4-nitrobenzene has a molecular weight of 301.44 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-5-iodo-4-nitrobenzene is sourced from PubChem (CID 131559689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).