5-cyano-2-formyl-4-iodobenzamide

C9H5IN2O2 — CID 171013624

IUPAC5-cyano-2-formyl-4-iodobenzamide
SMILESN#Cc1cc(C(N)=O)c(C=O)cc1I
InChIInChI=1S/C9H5IN2O2/c10-8-2-6(4-13)7(9(12)14)1-5(8)3-11/h1-2,4H,(H2,12,14)
InChIKeyXATQKWSINPLSST-UHFFFAOYSA-N
MW300.06 g/mol
LogP1.07
Rot. Bonds2

About 5-cyano-2-formyl-4-iodobenzamide

5-cyano-2-formyl-4-iodobenzamide (PubChem CID 171013624) has the molecular formula C9H5IN2O2 and a molecular weight of 300.06 g/mol. Its IUPAC name is 5-cyano-2-formyl-4-iodobenzamide.

Molecular Properties

Compound Name5-cyano-2-formyl-4-iodobenzamide
PubChem CID171013624
Molecular FormulaC9H5IN2O2
Molecular Weight300.06 g/mol
Exact Mass299.94
IUPAC Name5-cyano-2-formyl-4-iodobenzamide
SMILESN#Cc1cc(C(N)=O)c(C=O)cc1I
InChIInChI=1S/C9H5IN2O2/c10-8-2-6(4-13)7(9(12)14)1-5(8)3-11/h1-2,4H,(H2,12,14)
InChIKeyXATQKWSINPLSST-UHFFFAOYSA-N
XLogP1.07
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.06
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-2-formyl-5-iodobenzoyl chloride
CID 171013159
4-cyano-5-fluoro-2-formylbenzamide
CID 171015999
4-cyano-5-iodo-2-(trifluoromethyl)benzamide
CID 171024844
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
2-cyano-4-iodo-5-methylbenzamide
CID 171025583
5-acetyl-4-formyl-2-methylbenzonitrile
CID 171016816
6-cyano-2-formyl-3-iodobenzamide
CID 171012768
2-(2-bromoacetyl)-5-formyl-4-iodobenzonitrile
CID 171013095
5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
ethyl 5-cyano-2-formyl-4-methylbenzoate
CID 134633597
4-formyl-5-iodo-2-nitrobenzamide
CID 171016271
3-cyano-5-fluoro-2-iodobenzamide
CID 171021829

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-formyl-4-iodobenzamide?
The IUPAC name of 5-cyano-2-formyl-4-iodobenzamide (CID 171013624) is 5-cyano-2-formyl-4-iodobenzamide.
What is the SMILES notation for 5-cyano-2-formyl-4-iodobenzamide?
The canonical SMILES for 5-cyano-2-formyl-4-iodobenzamide is N#Cc1cc(C(N)=O)c(C=O)cc1I.
What is the InChIKey of 5-cyano-2-formyl-4-iodobenzamide?
The InChIKey is XATQKWSINPLSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN2O2/c10-8-2-6(4-13)7(9(12)14)1-5(8)3-11/h1-2,4H,(H2,12,14).
What are the key properties of 5-cyano-2-formyl-4-iodobenzamide?
5-cyano-2-formyl-4-iodobenzamide has a molecular weight of 300.06 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-formyl-4-iodobenzamide is sourced from PubChem (CID 171013624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).