[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol

C12H11BrINO2 — CID 114259104

IUPAC[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(I)cc2Br)o1
InChIInChI=1S/C12H11BrINO2/c13-11-5-8(14)1-4-12(11)15-6-9-2-3-10(7-16)17-9/h1-5,15-16H,6-7H2
InChIKeyCDLXILHANVYIGK-UHFFFAOYSA-N
MW408.03 g/mol
LogP3.75
Rot. Bonds4

About [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol

[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol (PubChem CID 114259104) has the molecular formula C12H11BrINO2 and a molecular weight of 408.03 g/mol. Its IUPAC name is [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol
PubChem CID114259104
Molecular FormulaC12H11BrINO2
Molecular Weight408.03 g/mol
Exact Mass406.90
IUPAC Name[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(I)cc2Br)o1
InChIInChI=1S/C12H11BrINO2/c13-11-5-8(14)1-4-12(11)15-6-9-2-3-10(7-16)17-9/h1-5,15-16H,6-7H2
InChIKeyCDLXILHANVYIGK-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
CID 64579776
[5-[(2-bromo-4-chloroanilino)methyl]furan-2-yl]methanol
CID 81263655
N-[(5-bromofuran-2-yl)methyl]-2-chloro-4-iodoaniline
CID 43733657
[5-[(5-bromo-2-chloroanilino)methyl]furan-2-yl]methanol
CID 64591430
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
ethyl 3-bromo-4-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43781190
1-(2-bromo-4-iodoanilino)propan-2-ol
CID 126975658
2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117
4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbenzoic acid
CID 64578614
[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
CID 64591230
3-chloro-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzonitrile
CID 107807498
[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
CID 64579556

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol (CID 114259104) is [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(I)cc2Br)o1.
What is the InChIKey of [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol?
The InChIKey is CDLXILHANVYIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrINO2/c13-11-5-8(14)1-4-12(11)15-6-9-2-3-10(7-16)17-9/h1-5,15-16H,6-7H2.
What are the key properties of [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol?
[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol has a molecular weight of 408.03 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 114259104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).