6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole

C16H13BrN2O — CID 130276818

IUPAC6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole
SMILESCOc1ccc(C=Cc2cc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C16H13BrN2O/c1-20-15-7-6-13(18-10-15)4-5-14-8-11-2-3-12(17)9-16(11)19-14/h2-10,19H,1H3
InChIKeyYGDTWHNSUBEBQG-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.50
Rot. Bonds3

About 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole

6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole (PubChem CID 130276818) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole
PubChem CID130276818
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole
SMILESCOc1ccc(C=Cc2cc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C16H13BrN2O/c1-20-15-7-6-13(18-10-15)4-5-14-8-11-2-3-12(17)9-16(11)19-14/h2-10,19H,1H3
InChIKeyYGDTWHNSUBEBQG-UHFFFAOYSA-N
XLogP4.50
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(E)-2-(6-bromo-1H-indol-2-yl)ethenyl]-2-chlorophenol
CID 129125365
2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole
CID 11843963
6-bromo-2-[(E)-2-(4-chloro-3-propoxyphenyl)ethenyl]-1H-indole;ethane;propane
CID 145305138
N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 171488099
6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
CID 12621816
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
2-ethenyl-5-methoxy-1H-indole
CID 11844226
ethyl (E)-3-(5-methoxy-1H-indol-2-yl)prop-2-enoate
CID 24741227
methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate
CID 141364377
7-bromo-3-methoxyisoquinoline
CID 67491766
3,8-dimethoxy-1,10-phenanthroline
CID 11390810
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole?
The IUPAC name of 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole (CID 130276818) is 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole.
What is the SMILES notation for 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole?
The canonical SMILES for 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole is COc1ccc(C=Cc2cc3ccc(Br)cc3[nH]2)nc1.
What is the InChIKey of 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole?
The InChIKey is YGDTWHNSUBEBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-20-15-7-6-13(18-10-15)4-5-14-8-11-2-3-12(17)9-16(11)19-14/h2-10,19H,1H3.
What are the key properties of 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole?
6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole has a molecular weight of 329.20 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole is sourced from PubChem (CID 130276818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).