6-cyano-3-iodo-2-nitrobenzamide

C8H4IN3O3 — CID 171025880

IUPAC6-cyano-3-iodo-2-nitrobenzamide
SMILESN#Cc1ccc(I)c([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H4IN3O3/c9-5-2-1-4(3-10)6(8(11)13)7(5)12(14)15/h1-2H,(H2,11,13)
InChIKeyKMAPMCKUBQWUOJ-UHFFFAOYSA-N
MW317.04 g/mol
LogP1.17
Rot. Bonds2

About 6-cyano-3-iodo-2-nitrobenzamide

6-cyano-3-iodo-2-nitrobenzamide (PubChem CID 171025880) has the molecular formula C8H4IN3O3 and a molecular weight of 317.04 g/mol. Its IUPAC name is 6-cyano-3-iodo-2-nitrobenzamide.

Molecular Properties

Compound Name6-cyano-3-iodo-2-nitrobenzamide
PubChem CID171025880
Molecular FormulaC8H4IN3O3
Molecular Weight317.04 g/mol
Exact Mass316.93
IUPAC Name6-cyano-3-iodo-2-nitrobenzamide
SMILESN#Cc1ccc(I)c([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H4IN3O3/c9-5-2-1-4(3-10)6(8(11)13)7(5)12(14)15/h1-2H,(H2,11,13)
InChIKeyKMAPMCKUBQWUOJ-UHFFFAOYSA-N
XLogP1.17
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.04
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-cyano-2-formyl-3-iodobenzamide
CID 171012768
2-(2-bromoacetyl)-3-iodo-4-nitrobenzonitrile
CID 171025784
6-iodo-2-nitro-3-(trifluoromethyl)benzamide
CID 171017959
6-cyano-2-iodo-3-methoxybenzamide
CID 171025340
2-acetyl-4-methoxy-3-nitrobenzonitrile
CID 131301575
3-cyano-4-iodo-2-nitrobenzoyl chloride
CID 171025843
4-iodo-3-nitro-2-(trifluoromethyl)benzamide
CID 171018537
3-acetyl-6-iodo-2-nitrobenzonitrile
CID 131305969
2-chloro-3-iodo-6-nitrobenzamide
CID 171004630
3,6-difluoro-2-nitrobenzamide
CID 131169296
5-acetyl-3-iodo-2-nitrobenzonitrile
CID 131308132
2-acetyl-3-hydroxy-4-iodobenzonitrile
CID 171020060

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-iodo-2-nitrobenzamide?
The IUPAC name of 6-cyano-3-iodo-2-nitrobenzamide (CID 171025880) is 6-cyano-3-iodo-2-nitrobenzamide.
What is the SMILES notation for 6-cyano-3-iodo-2-nitrobenzamide?
The canonical SMILES for 6-cyano-3-iodo-2-nitrobenzamide is N#Cc1ccc(I)c([N+](=O)[O-])c1C(N)=O.
What is the InChIKey of 6-cyano-3-iodo-2-nitrobenzamide?
The InChIKey is KMAPMCKUBQWUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4IN3O3/c9-5-2-1-4(3-10)6(8(11)13)7(5)12(14)15/h1-2H,(H2,11,13).
What are the key properties of 6-cyano-3-iodo-2-nitrobenzamide?
6-cyano-3-iodo-2-nitrobenzamide has a molecular weight of 317.04 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-iodo-2-nitrobenzamide is sourced from PubChem (CID 171025880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).