(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone

C13H8BrNO2 — CID 62046001

IUPAC(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H8BrNO2/c14-8-3-4-9-10(7-15-11(9)6-8)13(16)12-2-1-5-17-12/h1-7,15H
InChIKeyDGBFHCASAFELPM-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.75
Rot. Bonds2

About (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone

(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone (PubChem CID 62046001) has the molecular formula C13H8BrNO2 and a molecular weight of 290.12 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
PubChem CID62046001
Molecular FormulaC13H8BrNO2
Molecular Weight290.12 g/mol
Exact Mass288.97
IUPAC Name(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H8BrNO2/c14-8-3-4-9-10(7-15-11(9)6-8)13(16)12-2-1-5-17-12/h1-7,15H
InChIKeyDGBFHCASAFELPM-UHFFFAOYSA-N
XLogP3.75
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-1H-indol-3-yl)-(furan-2-yl)methanone
CID 43463725
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
CID 62046005
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237633
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone (CID 62046001) is (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone is O=C(c1ccco1)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone?
The InChIKey is DGBFHCASAFELPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO2/c14-8-3-4-9-10(7-15-11(9)6-8)13(16)12-2-1-5-17-12/h1-7,15H.
What are the key properties of (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone?
(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone has a molecular weight of 290.12 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 62046001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).