2,4-dibromo-6-(furan-2-yl)aniline

C10H7Br2NO — CID 11267081

IUPAC2,4-dibromo-6-(furan-2-yl)aniline
SMILESNc1c(Br)cc(Br)cc1-c1ccco1
InChIInChI=1S/C10H7Br2NO/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h1-5H,13H2
InChIKeyMEHORDUTWMCWSC-UHFFFAOYSA-N
MW316.98 g/mol
LogP4.05
Rot. Bonds1

About 2,4-dibromo-6-(furan-2-yl)aniline

2,4-dibromo-6-(furan-2-yl)aniline (PubChem CID 11267081) has the molecular formula C10H7Br2NO and a molecular weight of 316.98 g/mol. Its IUPAC name is 2,4-dibromo-6-(furan-2-yl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(furan-2-yl)aniline
PubChem CID11267081
Molecular FormulaC10H7Br2NO
Molecular Weight316.98 g/mol
Exact Mass314.89
IUPAC Name2,4-dibromo-6-(furan-2-yl)aniline
SMILESNc1c(Br)cc(Br)cc1-c1ccco1
InChIInChI=1S/C10H7Br2NO/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h1-5H,13H2
InChIKeyMEHORDUTWMCWSC-UHFFFAOYSA-N
XLogP4.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.98
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(furan-2-yl)aniline?
The IUPAC name of 2,4-dibromo-6-(furan-2-yl)aniline (CID 11267081) is 2,4-dibromo-6-(furan-2-yl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(furan-2-yl)aniline?
The canonical SMILES for 2,4-dibromo-6-(furan-2-yl)aniline is Nc1c(Br)cc(Br)cc1-c1ccco1.
What is the InChIKey of 2,4-dibromo-6-(furan-2-yl)aniline?
The InChIKey is MEHORDUTWMCWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h1-5H,13H2.
What are the key properties of 2,4-dibromo-6-(furan-2-yl)aniline?
2,4-dibromo-6-(furan-2-yl)aniline has a molecular weight of 316.98 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(furan-2-yl)aniline is sourced from PubChem (CID 11267081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).