3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole

C13H11BrN2O — CID 70291499

IUPAC3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(-c3c[nH]cc3Br)c2c1
InChIInChI=1S/C13H11BrN2O/c1-17-8-2-3-13-9(4-8)10(6-16-13)11-5-15-7-12(11)14/h2-7,15-16H,1H3
InChIKeyRFDWJWBEXJAFID-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.93
Rot. Bonds2

About 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole

3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole (PubChem CID 70291499) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
PubChem CID70291499
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(-c3c[nH]cc3Br)c2c1
InChIInChI=1S/C13H11BrN2O/c1-17-8-2-3-13-9(4-8)10(6-16-13)11-5-15-7-12(11)14/h2-7,15-16H,1H3
InChIKeyRFDWJWBEXJAFID-UHFFFAOYSA-N
XLogP3.93
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine
CID 135479895
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986326
5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole?
The IUPAC name of 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole (CID 70291499) is 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole.
What is the SMILES notation for 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole?
The canonical SMILES for 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole is COc1ccc2[nH]cc(-c3c[nH]cc3Br)c2c1.
What is the InChIKey of 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole?
The InChIKey is RFDWJWBEXJAFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-17-8-2-3-13-9(4-8)10(6-16-13)11-5-15-7-12(11)14/h2-7,15-16H,1H3.
What are the key properties of 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole?
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole has a molecular weight of 291.15 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole is sourced from PubChem (CID 70291499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).