5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine

C8H7I2NO — CID 164908392

IUPAC5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine
SMILESNc1c(I)cc(I)c2c1COC2
InChIInChI=1S/C8H7I2NO/c9-6-1-7(10)8(11)5-3-12-2-4(5)6/h1H,2-3,11H2
InChIKeyXUAHEVNZMACFLT-UHFFFAOYSA-N
MW386.96 g/mol
LogP2.51
Rot. Bonds

About 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine

5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine (PubChem CID 164908392) has the molecular formula C8H7I2NO and a molecular weight of 386.96 g/mol. Its IUPAC name is 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine.

Molecular Properties

Compound Name5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine
PubChem CID164908392
Molecular FormulaC8H7I2NO
Molecular Weight386.96 g/mol
Exact Mass386.86
IUPAC Name5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine
SMILESNc1c(I)cc(I)c2c1COC2
InChIInChI=1S/C8H7I2NO/c9-6-1-7(10)8(11)5-3-12-2-4(5)6/h1H,2-3,11H2
InChIKeyXUAHEVNZMACFLT-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.96
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-iodo-1,3-dihydrofuro[3,4-c]pyridin-4-amine
CID 172553176
4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine
CID 164912930
5-chloro-6-iodo-1,3-dihydro-2-benzofuran
CID 166545060
4-iodo-1,3-dihydro-2-benzofuran
CID 134256715
1-(4-amino-3,5-dichlorophenyl)-2-(oxan-4-yl)ethanone
CID 116609881
7-iodo-3,4-dihydro-1H-isochromen-6-amine
CID 53420061
5-bromo-3-iodobenzene-1,2-diamine
CID 99770085
3,4-diamino-5-iodophenol
CID 163601326
(3-chloro-4-iodophenyl)-(oxan-4-yl)methanamine
CID 103215273
6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene
CID 175432366
4-methyl-1,3-dihydro-2-benzofuran-5-amine
CID 55283822
3-bromo-4-chloro-6-iodo-2-methylaniline
CID 168927967

Frequently Asked Questions

What is the IUPAC name of 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine?
The IUPAC name of 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine (CID 164908392) is 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine.
What is the SMILES notation for 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine?
The canonical SMILES for 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine is Nc1c(I)cc(I)c2c1COC2.
What is the InChIKey of 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine?
The InChIKey is XUAHEVNZMACFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7I2NO/c9-6-1-7(10)8(11)5-3-12-2-4(5)6/h1H,2-3,11H2.
What are the key properties of 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine?
5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine has a molecular weight of 386.96 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine is sourced from PubChem (CID 164908392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).