3-formyl-2-iodo-5-nitrobenzamide

C8H5IN2O4 — CID 171016570

IUPAC3-formyl-2-iodo-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])cc(C=O)c1I
InChIInChI=1S/C8H5IN2O4/c9-7-4(3-12)1-5(11(14)15)2-6(7)8(10)13/h1-3H,(H2,10,13)
InChIKeyLTYWNFIWJZLEAW-UHFFFAOYSA-N
MW320.04 g/mol
LogP1.11
Rot. Bonds3

About 3-formyl-2-iodo-5-nitrobenzamide

3-formyl-2-iodo-5-nitrobenzamide (PubChem CID 171016570) has the molecular formula C8H5IN2O4 and a molecular weight of 320.04 g/mol. Its IUPAC name is 3-formyl-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound Name3-formyl-2-iodo-5-nitrobenzamide
PubChem CID171016570
Molecular FormulaC8H5IN2O4
Molecular Weight320.04 g/mol
Exact Mass319.93
IUPAC Name3-formyl-2-iodo-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])cc(C=O)c1I
InChIInChI=1S/C8H5IN2O4/c9-7-4(3-12)1-5(11(14)15)2-6(7)8(10)13/h1-3H,(H2,10,13)
InChIKeyLTYWNFIWJZLEAW-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

3-formyl-2-methoxy-5-nitrobenzamide
CID 171022744
5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
4-formyl-5-iodo-2-nitrobenzamide
CID 171016271
3-formyl-2-hydroxy-5-nitrobenzoic acid
CID 23423382
2,6-diiodo-4-nitrobenzaldehyde
CID 21468410
3-formyl-5-nitro-2-(trifluoromethyl)benzoyl chloride
CID 171014775
3-carbamoyl-2-methyl-5-nitrobenzoic acid
CID 66586686
3-amino-2-methyl-5-nitrobenzamide
CID 19141
2-cyano-3-methyl-5-nitrobenzamide
CID 171028348
2-bromo-3-fluoro-5-nitrobenzamide
CID 130980263
3,5-dinitrobenzamide;hydrochloride
CID 172864761
2-(difluoromethoxy)-3-formyl-5-nitrobenzoic acid
CID 171027609

Frequently Asked Questions

What is the IUPAC name of 3-formyl-2-iodo-5-nitrobenzamide?
The IUPAC name of 3-formyl-2-iodo-5-nitrobenzamide (CID 171016570) is 3-formyl-2-iodo-5-nitrobenzamide.
What is the SMILES notation for 3-formyl-2-iodo-5-nitrobenzamide?
The canonical SMILES for 3-formyl-2-iodo-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])cc(C=O)c1I.
What is the InChIKey of 3-formyl-2-iodo-5-nitrobenzamide?
The InChIKey is LTYWNFIWJZLEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O4/c9-7-4(3-12)1-5(11(14)15)2-6(7)8(10)13/h1-3H,(H2,10,13).
What are the key properties of 3-formyl-2-iodo-5-nitrobenzamide?
3-formyl-2-iodo-5-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 3-formyl-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 171016570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).