5-fluoro-4-iodo-N-methyl-2-nitroaniline

C7H6FIN2O2 — CID 66100620

IUPAC5-fluoro-4-iodo-N-methyl-2-nitroaniline
SMILESCNc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6FIN2O2/c1-10-6-2-4(8)5(9)3-7(6)11(12)13/h2-3,10H,1H3
InChIKeyGZNPITGLZPFORK-UHFFFAOYSA-N
MW296.04 g/mol
LogP2.38
Rot. Bonds2

About 5-fluoro-4-iodo-N-methyl-2-nitroaniline

5-fluoro-4-iodo-N-methyl-2-nitroaniline (PubChem CID 66100620) has the molecular formula C7H6FIN2O2 and a molecular weight of 296.04 g/mol. Its IUPAC name is 5-fluoro-4-iodo-N-methyl-2-nitroaniline.

Molecular Properties

Compound Name5-fluoro-4-iodo-N-methyl-2-nitroaniline
PubChem CID66100620
Molecular FormulaC7H6FIN2O2
Molecular Weight296.04 g/mol
Exact Mass295.95
IUPAC Name5-fluoro-4-iodo-N-methyl-2-nitroaniline
SMILESCNc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6FIN2O2/c1-10-6-2-4(8)5(9)3-7(6)11(12)13/h2-3,10H,1H3
InChIKeyGZNPITGLZPFORK-UHFFFAOYSA-N
XLogP2.38
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.04
LogP ≤ 52.38
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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Related Compounds

5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
CID 66100227
1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol
CID 66101833
N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66086750
N-cyclopropyl-5-fluoro-4-iodo-2-nitroaniline
CID 66100425
5-fluoro-4-iodo-N-(4-methylpentyl)-2-nitroaniline
CID 66101220
5-fluoro-4-iodo-N-(5-methylhexyl)-2-nitroaniline
CID 115326179
1-N-(5-fluoro-4-iodo-2-nitrophenyl)propane-1,2-diamine
CID 66100865
5-fluoro-N-hexyl-4-iodo-2-nitroaniline
CID 66101044
N-ethyl-N'-(5-fluoro-4-iodo-2-nitrophenyl)propane-1,3-diamine
CID 66100467
N',N'-diethyl-N-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66101013
N'-(5-fluoro-4-iodo-2-nitrophenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 66101407
2-N-(5-fluoro-4-iodo-2-nitrophenyl)-2,3-dimethylbutane-1,2-diamine
CID 115310782

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodo-N-methyl-2-nitroaniline?
The IUPAC name of 5-fluoro-4-iodo-N-methyl-2-nitroaniline (CID 66100620) is 5-fluoro-4-iodo-N-methyl-2-nitroaniline.
What is the SMILES notation for 5-fluoro-4-iodo-N-methyl-2-nitroaniline?
The canonical SMILES for 5-fluoro-4-iodo-N-methyl-2-nitroaniline is CNc1cc(F)c(I)cc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-4-iodo-N-methyl-2-nitroaniline?
The InChIKey is GZNPITGLZPFORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2O2/c1-10-6-2-4(8)5(9)3-7(6)11(12)13/h2-3,10H,1H3.
What are the key properties of 5-fluoro-4-iodo-N-methyl-2-nitroaniline?
5-fluoro-4-iodo-N-methyl-2-nitroaniline has a molecular weight of 296.04 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-N-methyl-2-nitroaniline is sourced from PubChem (CID 66100620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).