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

C14H10BrNO2 — CID 62046005

IUPAC(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H10BrNO2/c1-8-4-5-18-14(8)13(17)11-7-16-12-6-9(15)2-3-10(11)12/h2-7,16H,1H3
InChIKeyLALKQFYEWZROIV-UHFFFAOYSA-N
MW304.14 g/mol
LogP4.06
Rot. Bonds2

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

(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone (PubChem CID 62046005) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
PubChem CID62046005
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H10BrNO2/c1-8-4-5-18-14(8)13(17)11-7-16-12-6-9(15)2-3-10(11)12/h2-7,16H,1H3
InChIKeyLALKQFYEWZROIV-UHFFFAOYSA-N
XLogP4.06
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl-(3-methylfuran-2-yl)methanone
CID 43463194
(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
CID 62046001
(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
(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649119
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 104799584
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone (CID 62046005) is (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone?
The InChIKey is LALKQFYEWZROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c1-8-4-5-18-14(8)13(17)11-7-16-12-6-9(15)2-3-10(11)12/h2-7,16H,1H3.
What are the key properties of (6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone?
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone has a molecular weight of 304.14 g/mol, XLogP of 4.06, 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)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 62046005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).