6-bromo-1-(furan-2-ylmethyl)indole

C13H10BrNO — CID 116622096

IUPAC6-bromo-1-(furan-2-ylmethyl)indole
SMILESBrc1ccc2ccn(Cc3ccco3)c2c1
InChIInChI=1S/C13H10BrNO/c14-11-4-3-10-5-6-15(13(10)8-11)9-12-2-1-7-16-12/h1-8H,9H2
InChIKeyLYXFTTOCVWTGSA-UHFFFAOYSA-N
MW276.13 g/mol
LogP4.05
Rot. Bonds2

About 6-bromo-1-(furan-2-ylmethyl)indole

6-bromo-1-(furan-2-ylmethyl)indole (PubChem CID 116622096) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 6-bromo-1-(furan-2-ylmethyl)indole.

Molecular Properties

Compound Name6-bromo-1-(furan-2-ylmethyl)indole
PubChem CID116622096
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name6-bromo-1-(furan-2-ylmethyl)indole
SMILESBrc1ccc2ccn(Cc3ccco3)c2c1
InChIInChI=1S/C13H10BrNO/c14-11-4-3-10-5-6-15(13(10)8-11)9-12-2-1-7-16-12/h1-8H,9H2
InChIKeyLYXFTTOCVWTGSA-UHFFFAOYSA-N
XLogP4.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 29131821
N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62564897
6-bromo-1-(2-fluoroethyl)indole
CID 116622037
5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
CID 60773320
methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 150206903
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
6-bromo-1-[(2,5-dimethylphenyl)methyl]indole
CID 116621819
2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 116621897
6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid
CID 62269393
5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
CID 116619491
6-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116621978

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(furan-2-ylmethyl)indole?
The IUPAC name of 6-bromo-1-(furan-2-ylmethyl)indole (CID 116622096) is 6-bromo-1-(furan-2-ylmethyl)indole.
What is the SMILES notation for 6-bromo-1-(furan-2-ylmethyl)indole?
The canonical SMILES for 6-bromo-1-(furan-2-ylmethyl)indole is Brc1ccc2ccn(Cc3ccco3)c2c1.
What is the InChIKey of 6-bromo-1-(furan-2-ylmethyl)indole?
The InChIKey is LYXFTTOCVWTGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-11-4-3-10-5-6-15(13(10)8-11)9-12-2-1-7-16-12/h1-8H,9H2.
What are the key properties of 6-bromo-1-(furan-2-ylmethyl)indole?
6-bromo-1-(furan-2-ylmethyl)indole has a molecular weight of 276.13 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(furan-2-ylmethyl)indole is sourced from PubChem (CID 116622096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).