2-chloro-4-fluoro-5-nitrobenzoyl iodide

C7H2ClFINO3 — CID 167464714

IUPAC2-chloro-4-fluoro-5-nitrobenzoyl iodide
SMILESO=C(I)c1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C7H2ClFINO3/c8-4-2-5(9)6(11(13)14)1-3(4)7(10)12/h1-2H
InChIKeyUUXMLPXFTZFWBA-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.96
Rot. Bonds2

About 2-chloro-4-fluoro-5-nitrobenzoyl iodide

2-chloro-4-fluoro-5-nitrobenzoyl iodide (PubChem CID 167464714) has the molecular formula C7H2ClFINO3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-nitrobenzoyl iodide.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-nitrobenzoyl iodide
PubChem CID167464714
Molecular FormulaC7H2ClFINO3
Molecular Weight329.45 g/mol
Exact Mass328.88
IUPAC Name2-chloro-4-fluoro-5-nitrobenzoyl iodide
SMILESO=C(I)c1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C7H2ClFINO3/c8-4-2-5(9)6(11(13)14)1-3(4)7(10)12/h1-2H
InChIKeyUUXMLPXFTZFWBA-UHFFFAOYSA-N
XLogP2.96
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
(2-chloro-4-fluoro-5-nitrophenyl)-phenylmethanone
CID 18314505
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
iodo 2,4-difluoro-5-nitrobenzoate
CID 143303840
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
(3-oxo-3-propan-2-yloxypropyl) 2-chloro-4-fluoro-5-nitrobenzoate
CID 162517096
1-(bromomethyl)-2-chloro-4-fluoro-5-nitrobenzene
CID 117062601
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-nitrobenzoyl iodide?
The IUPAC name of 2-chloro-4-fluoro-5-nitrobenzoyl iodide (CID 167464714) is 2-chloro-4-fluoro-5-nitrobenzoyl iodide.
What is the SMILES notation for 2-chloro-4-fluoro-5-nitrobenzoyl iodide?
The canonical SMILES for 2-chloro-4-fluoro-5-nitrobenzoyl iodide is O=C(I)c1cc([N+](=O)[O-])c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-nitrobenzoyl iodide?
The InChIKey is UUXMLPXFTZFWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClFINO3/c8-4-2-5(9)6(11(13)14)1-3(4)7(10)12/h1-2H.
What are the key properties of 2-chloro-4-fluoro-5-nitrobenzoyl iodide?
2-chloro-4-fluoro-5-nitrobenzoyl iodide has a molecular weight of 329.45 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-nitrobenzoyl iodide is sourced from PubChem (CID 167464714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).