2-formyl-6-iodo-3-nitrobenzamide

C8H5IN2O4 — CID 171016348

IUPAC2-formyl-6-iodo-3-nitrobenzamide
SMILESNC(=O)c1c(I)ccc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H5IN2O4/c9-5-1-2-6(11(14)15)4(3-12)7(5)8(10)13/h1-3H,(H2,10,13)
InChIKeyMZERRRHKFYMZER-UHFFFAOYSA-N
MW320.04 g/mol
LogP1.11
Rot. Bonds3

About 2-formyl-6-iodo-3-nitrobenzamide

2-formyl-6-iodo-3-nitrobenzamide (PubChem CID 171016348) has the molecular formula C8H5IN2O4 and a molecular weight of 320.04 g/mol. Its IUPAC name is 2-formyl-6-iodo-3-nitrobenzamide.

Molecular Properties

Compound Name2-formyl-6-iodo-3-nitrobenzamide
PubChem CID171016348
Molecular FormulaC8H5IN2O4
Molecular Weight320.04 g/mol
Exact Mass319.93
IUPAC Name2-formyl-6-iodo-3-nitrobenzamide
SMILESNC(=O)c1c(I)ccc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H5IN2O4/c9-5-1-2-6(11(14)15)4(3-12)7(5)8(10)13/h1-3H,(H2,10,13)
InChIKeyMZERRRHKFYMZER-UHFFFAOYSA-N
XLogP1.11
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.04
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-chloro-3-iodo-6-nitrobenzamide
CID 171004630
6-hydroxy-2-iodo-3-nitrobenzaldehyde
CID 19069473
2-acetyl-3-bromo-6-nitrobenzaldehyde
CID 171003778
6-cyano-2-formyl-3-iodobenzamide
CID 171012768
2-chloro-3-hydroxy-6-nitrobenzaldehyde
CID 13147354
methyl 2-formyl-6-methoxy-3-nitrobenzoate
CID 171023954
5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
2-cyano-6-formyl-3-nitrobenzamide
CID 171018265
6-acetyl-2-iodo-3-nitrobenzaldehyde
CID 171017070
4-formyl-5-iodo-2-nitrobenzamide
CID 171016271
3-chloro-6-nitrophthalaldehyde
CID 171006758
3-chloro-2-methyl-6-nitrobenzaldehyde
CID 130966517

Frequently Asked Questions

What is the IUPAC name of 2-formyl-6-iodo-3-nitrobenzamide?
The IUPAC name of 2-formyl-6-iodo-3-nitrobenzamide (CID 171016348) is 2-formyl-6-iodo-3-nitrobenzamide.
What is the SMILES notation for 2-formyl-6-iodo-3-nitrobenzamide?
The canonical SMILES for 2-formyl-6-iodo-3-nitrobenzamide is NC(=O)c1c(I)ccc([N+](=O)[O-])c1C=O.
What is the InChIKey of 2-formyl-6-iodo-3-nitrobenzamide?
The InChIKey is MZERRRHKFYMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O4/c9-5-1-2-6(11(14)15)4(3-12)7(5)8(10)13/h1-3H,(H2,10,13).
What are the key properties of 2-formyl-6-iodo-3-nitrobenzamide?
2-formyl-6-iodo-3-nitrobenzamide has a molecular weight of 320.04 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-6-iodo-3-nitrobenzamide is sourced from PubChem (CID 171016348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).