3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride

C10H13ClINO — CID 13376846

IUPAC3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1cc(I)c(O)c2c1CCC2N.Cl
InChIInChI=1S/C10H12INO.ClH/c1-5-4-7(11)10(13)9-6(5)2-3-8(9)12;/h4,8,13H,2-3,12H2,1H3;1H
InChIKeyFLFYAFOOWITMCY-UHFFFAOYSA-N
MW325.58 g/mol
LogP2.67
Rot. Bonds

About 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride

3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride (PubChem CID 13376846) has the molecular formula C10H13ClINO and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
PubChem CID13376846
Molecular FormulaC10H13ClINO
Molecular Weight325.58 g/mol
Exact Mass324.97
IUPAC Name3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1cc(I)c(O)c2c1CCC2N.Cl
InChIInChI=1S/C10H12INO.ClH/c1-5-4-7(11)10(13)9-6(5)2-3-8(9)12;/h4,8,13H,2-3,12H2,1H3;1H
InChIKeyFLFYAFOOWITMCY-UHFFFAOYSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The IUPAC name of 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride (CID 13376846) is 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The canonical SMILES for 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride is Cc1cc(I)c(O)c2c1CCC2N.Cl.
What is the InChIKey of 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The InChIKey is FLFYAFOOWITMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO.ClH/c1-5-4-7(11)10(13)9-6(5)2-3-8(9)12;/h4,8,13H,2-3,12H2,1H3;1H.
What are the key properties of 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride has a molecular weight of 325.58 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-7-methyl-2,3-dihydro-1H-inden-4-ol;hydrochloride is sourced from PubChem (CID 13376846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).