6-cyano-2-formyl-3-iodobenzamide

C9H5IN2O2 — CID 171012768

IUPAC6-cyano-2-formyl-3-iodobenzamide
SMILESN#Cc1ccc(I)c(C=O)c1C(N)=O
InChIInChI=1S/C9H5IN2O2/c10-7-2-1-5(3-11)8(9(12)14)6(7)4-13/h1-2,4H,(H2,12,14)
InChIKeyMVTMRKJGADGJLH-UHFFFAOYSA-N
MW300.06 g/mol
LogP1.07
Rot. Bonds2

About 6-cyano-2-formyl-3-iodobenzamide

6-cyano-2-formyl-3-iodobenzamide (PubChem CID 171012768) has the molecular formula C9H5IN2O2 and a molecular weight of 300.06 g/mol. Its IUPAC name is 6-cyano-2-formyl-3-iodobenzamide.

Molecular Properties

Compound Name6-cyano-2-formyl-3-iodobenzamide
PubChem CID171012768
Molecular FormulaC9H5IN2O2
Molecular Weight300.06 g/mol
Exact Mass299.94
IUPAC Name6-cyano-2-formyl-3-iodobenzamide
SMILESN#Cc1ccc(I)c(C=O)c1C(N)=O
InChIInChI=1S/C9H5IN2O2/c10-7-2-1-5(3-11)8(9(12)14)6(7)4-13/h1-2,4H,(H2,12,14)
InChIKeyMVTMRKJGADGJLH-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

6-cyano-3-iodo-2-nitrobenzamide
CID 171025880
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
6-cyano-2-iodo-3-methoxybenzamide
CID 171025340
2-formyl-6-iodo-3-nitrobenzamide
CID 171016348
5-cyano-2-formyl-4-iodobenzamide
CID 171013624
2-acetyl-3-hydroxy-4-iodobenzonitrile
CID 171020060
methyl 6-cyano-2-formyl-3-methylbenzoate
CID 131263068
ethyl 6-cyano-2,3-diiodobenzoate
CID 134644151
methyl 6-cyano-2,3-diiodobenzoate
CID 130923706
2-acetyl-6-iodo-3-methylbenzaldehyde
CID 171015712
3-cyano-2-formyl-5-methoxybenzamide
CID 171013166
2-formyl-3,4-dihydroxybenzonitrile
CID 175123640

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-formyl-3-iodobenzamide?
The IUPAC name of 6-cyano-2-formyl-3-iodobenzamide (CID 171012768) is 6-cyano-2-formyl-3-iodobenzamide.
What is the SMILES notation for 6-cyano-2-formyl-3-iodobenzamide?
The canonical SMILES for 6-cyano-2-formyl-3-iodobenzamide is N#Cc1ccc(I)c(C=O)c1C(N)=O.
What is the InChIKey of 6-cyano-2-formyl-3-iodobenzamide?
The InChIKey is MVTMRKJGADGJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN2O2/c10-7-2-1-5(3-11)8(9(12)14)6(7)4-13/h1-2,4H,(H2,12,14).
What are the key properties of 6-cyano-2-formyl-3-iodobenzamide?
6-cyano-2-formyl-3-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 6-cyano-2-formyl-3-iodobenzamide is sourced from PubChem (CID 171012768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).