2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol

C12H11BrINO2 — CID 114260364

IUPAC2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol
SMILESOC(CNc1ccc(Br)c(I)c1)c1ccco1
InChIInChI=1S/C12H11BrINO2/c13-9-4-3-8(6-10(9)14)15-7-11(16)12-2-1-5-17-12/h1-6,11,15-16H,7H2
InChIKeyPYXPBAIODIIXKI-UHFFFAOYSA-N
MW408.03 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol

2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol (PubChem CID 114260364) has the molecular formula C12H11BrINO2 and a molecular weight of 408.03 g/mol. Its IUPAC name is 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol
PubChem CID114260364
Molecular FormulaC12H11BrINO2
Molecular Weight408.03 g/mol
Exact Mass406.90
IUPAC Name2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol
SMILESOC(CNc1ccc(Br)c(I)c1)c1ccco1
InChIInChI=1S/C12H11BrINO2/c13-9-4-3-8(6-10(9)14)15-7-11(16)12-2-1-5-17-12/h1-6,11,15-16H,7H2
InChIKeyPYXPBAIODIIXKI-UHFFFAOYSA-N
XLogP3.79
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.03
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
CID 60898863
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63905154
4-bromo-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzonitrile
CID 114002519
1-(furan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79770661
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
2-[3-bromo-2-(methoxymethyl)anilino]-1-(furan-2-yl)ethanol
CID 61168153
(2S)-1-(3-bromo-4-iodoanilino)propan-2-ol
CID 130499916
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
(1S)-1-(furan-2-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 97351936

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol (CID 114260364) is 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol is OC(CNc1ccc(Br)c(I)c1)c1ccco1.
What is the InChIKey of 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol?
The InChIKey is PYXPBAIODIIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrINO2/c13-9-4-3-8(6-10(9)14)15-7-11(16)12-2-1-5-17-12/h1-6,11,15-16H,7H2.
What are the key properties of 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol?
2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol has a molecular weight of 408.03 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol is sourced from PubChem (CID 114260364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).