(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone

C13H7Br2NOS — CID 63798607

IUPAC(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1sccc1Br)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H7Br2NOS/c14-7-1-2-11-8(5-7)9(6-16-11)12(17)13-10(15)3-4-18-13/h1-6,16H
InChIKeyGSKIIWXNRXKPPS-UHFFFAOYSA-N
MW385.08 g/mol
LogP4.99
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone

(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone (PubChem CID 63798607) has the molecular formula C13H7Br2NOS and a molecular weight of 385.08 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
PubChem CID63798607
Molecular FormulaC13H7Br2NOS
Molecular Weight385.08 g/mol
Exact Mass382.86
IUPAC Name(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1sccc1Br)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H7Br2NOS/c14-7-1-2-11-8(5-7)9(6-16-11)12(17)13-10(15)3-4-18-13/h1-6,16H
InChIKeyGSKIIWXNRXKPPS-UHFFFAOYSA-N
XLogP4.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
CID 79802966
(5-bromo-1H-indol-3-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278577
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone (CID 63798607) is (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone is O=C(c1sccc1Br)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
The InChIKey is GSKIIWXNRXKPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NOS/c14-7-1-2-11-8(5-7)9(6-16-11)12(17)13-10(15)3-4-18-13/h1-6,16H.
What are the key properties of (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone has a molecular weight of 385.08 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 63798607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).