7-bromo-1H-indole;7-bromo-1-methylindole

C17H14Br2N2 — CID 158081765

IUPAC7-bromo-1H-indole;7-bromo-1-methylindole
SMILESBrc1cccc2cc[nH]c12.Cn1ccc2cccc(Br)c21
InChIInChI=1S/C9H8BrN.C8H6BrN/c1-11-6-5-7-3-2-4-8(10)9(7)11;9-7-3-1-2-6-4-5-10-8(6)7/h2-6H,1H3;1-5,10H
InChIKeyFNAQNZHENLAJFA-UHFFFAOYSA-N
MW406.12 g/mol
LogP5.87
Rot. Bonds

About 7-bromo-1H-indole;7-bromo-1-methylindole

7-bromo-1H-indole;7-bromo-1-methylindole (PubChem CID 158081765) has the molecular formula C17H14Br2N2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 7-bromo-1H-indole;7-bromo-1-methylindole.

Molecular Properties

Compound Name7-bromo-1H-indole;7-bromo-1-methylindole
PubChem CID158081765
Molecular FormulaC17H14Br2N2
Molecular Weight406.12 g/mol
Exact Mass403.95
IUPAC Name7-bromo-1H-indole;7-bromo-1-methylindole
SMILESBrc1cccc2cc[nH]c12.Cn1ccc2cccc(Br)c21
InChIInChI=1S/C9H8BrN.C8H6BrN/c1-11-6-5-7-3-2-4-8(10)9(7)11;9-7-3-1-2-6-4-5-10-8(6)7/h2-6H,1H3;1-5,10H
InChIKeyFNAQNZHENLAJFA-UHFFFAOYSA-N
XLogP5.87
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.12
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-indole;7-bromo-1-methylindole?
The IUPAC name of 7-bromo-1H-indole;7-bromo-1-methylindole (CID 158081765) is 7-bromo-1H-indole;7-bromo-1-methylindole.
What is the SMILES notation for 7-bromo-1H-indole;7-bromo-1-methylindole?
The canonical SMILES for 7-bromo-1H-indole;7-bromo-1-methylindole is Brc1cccc2cc[nH]c12.Cn1ccc2cccc(Br)c21.
What is the InChIKey of 7-bromo-1H-indole;7-bromo-1-methylindole?
The InChIKey is FNAQNZHENLAJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN.C8H6BrN/c1-11-6-5-7-3-2-4-8(10)9(7)11;9-7-3-1-2-6-4-5-10-8(6)7/h2-6H,1H3;1-5,10H.
What are the key properties of 7-bromo-1H-indole;7-bromo-1-methylindole?
7-bromo-1H-indole;7-bromo-1-methylindole has a molecular weight of 406.12 g/mol, XLogP of 5.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-indole;7-bromo-1-methylindole is sourced from PubChem (CID 158081765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).