2,3-diiodo-5-nitrothiophene

C4HI2NO2S — CID 10523854

IUPAC2,3-diiodo-5-nitrothiophene
SMILESO=[N+]([O-])c1cc(I)c(I)s1
InChIInChI=1S/C4HI2NO2S/c5-2-1-3(7(8)9)10-4(2)6/h1H
InChIKeyAKDJUZZSTMPINR-UHFFFAOYSA-N
MW380.93 g/mol
LogP2.87
Rot. Bonds1

About 2,3-diiodo-5-nitrothiophene

2,3-diiodo-5-nitrothiophene (PubChem CID 10523854) has the molecular formula C4HI2NO2S and a molecular weight of 380.93 g/mol. Its IUPAC name is 2,3-diiodo-5-nitrothiophene.

Molecular Properties

Compound Name2,3-diiodo-5-nitrothiophene
PubChem CID10523854
Molecular FormulaC4HI2NO2S
Molecular Weight380.93 g/mol
Exact Mass380.78
IUPAC Name2,3-diiodo-5-nitrothiophene
SMILESO=[N+]([O-])c1cc(I)c(I)s1
InChIInChI=1S/C4HI2NO2S/c5-2-1-3(7(8)9)10-4(2)6/h1H
InChIKeyAKDJUZZSTMPINR-UHFFFAOYSA-N
XLogP2.87
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.93
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-bromo-7-iodo-2-nitro-1-benzothiophene
CID 131054002
N,N,3-trimethyl-5-nitrothiophen-2-amine
CID 102380908
4-fluoro-6-methyl-2-nitro-1-benzothiophene
CID 130898234
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393
5-bromo-2-nitro-1-benzothiophen-6-ol
CID 131119356
1-(2-methyl-5-nitrothiophen-3-yl)ethanone
CID 118198110
3-chloro-5-nitrothiophene-2-carboxylic acid
CID 155820268
7-bromo-2-nitro-1-benzothiophen-4-ol
CID 130883985
2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 11046018
2-fluoro-5-iodo-6-nitro-1-benzothiophene
CID 131091462
N-(3-iodo-4-methylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
CID 1040982
5-nitrothiophen-2-amine;hydrochloride
CID 115008612

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-5-nitrothiophene?
The IUPAC name of 2,3-diiodo-5-nitrothiophene (CID 10523854) is 2,3-diiodo-5-nitrothiophene.
What is the SMILES notation for 2,3-diiodo-5-nitrothiophene?
The canonical SMILES for 2,3-diiodo-5-nitrothiophene is O=[N+]([O-])c1cc(I)c(I)s1.
What is the InChIKey of 2,3-diiodo-5-nitrothiophene?
The InChIKey is AKDJUZZSTMPINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HI2NO2S/c5-2-1-3(7(8)9)10-4(2)6/h1H.
What are the key properties of 2,3-diiodo-5-nitrothiophene?
2,3-diiodo-5-nitrothiophene has a molecular weight of 380.93 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-5-nitrothiophene is sourced from PubChem (CID 10523854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).