1-(5-bromo-2-iodoanilino)propan-2-ol

C9H11BrINO — CID 130499138

IUPAC1-(5-bromo-2-iodoanilino)propan-2-ol
SMILESCC(O)CNc1cc(Br)ccc1I
InChIInChI=1S/C9H11BrINO/c1-6(13)5-12-9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5H2,1H3
InChIKeyWDKNMLKHPLEBLF-UHFFFAOYSA-N
MW356.00 g/mol
LogP2.85
Rot. Bonds3

About 1-(5-bromo-2-iodoanilino)propan-2-ol

1-(5-bromo-2-iodoanilino)propan-2-ol (PubChem CID 130499138) has the molecular formula C9H11BrINO and a molecular weight of 356.00 g/mol. Its IUPAC name is 1-(5-bromo-2-iodoanilino)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-iodoanilino)propan-2-ol
PubChem CID130499138
Molecular FormulaC9H11BrINO
Molecular Weight356.00 g/mol
Exact Mass354.91
IUPAC Name1-(5-bromo-2-iodoanilino)propan-2-ol
SMILESCC(O)CNc1cc(Br)ccc1I
InChIInChI=1S/C9H11BrINO/c1-6(13)5-12-9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5H2,1H3
InChIKeyWDKNMLKHPLEBLF-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2-iodoanilino)-2-hydroxypropanoic acid
CID 130593910
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
1-(2-bromo-4-iodoanilino)propan-2-ol
CID 126975658
(2S)-1-(3-bromo-4-iodoanilino)propan-2-ol
CID 130499916
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
1-(2-iodo-4-methylanilino)propan-2-ol
CID 101467766
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
3-[(5-bromo-2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 114260835
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
CID 106931818
2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide
CID 114266392
2,3-bis(2-hydroxypropylamino)phenol
CID 155229182
4-[(5-bromo-2-iodoanilino)methyl]benzene-1,2-diol
CID 114259322

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-iodoanilino)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-iodoanilino)propan-2-ol (CID 130499138) is 1-(5-bromo-2-iodoanilino)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-iodoanilino)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-iodoanilino)propan-2-ol is CC(O)CNc1cc(Br)ccc1I.
What is the InChIKey of 1-(5-bromo-2-iodoanilino)propan-2-ol?
The InChIKey is WDKNMLKHPLEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrINO/c1-6(13)5-12-9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 1-(5-bromo-2-iodoanilino)propan-2-ol?
1-(5-bromo-2-iodoanilino)propan-2-ol has a molecular weight of 356.00 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-iodoanilino)propan-2-ol is sourced from PubChem (CID 130499138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).