5-bromo-2-methyl-1H-indol-6-ol

C9H8BrNO — CID 175486563

IUPAC5-bromo-2-methyl-1H-indol-6-ol
SMILESCc1cc2cc(Br)c(O)cc2[nH]1
InChIInChI=1S/C9H8BrNO/c1-5-2-6-3-7(10)9(12)4-8(6)11-5/h2-4,11-12H,1H3
InChIKeyYKERYWZTVAQABS-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.94
Rot. Bonds

About 5-bromo-2-methyl-1H-indol-6-ol

5-bromo-2-methyl-1H-indol-6-ol (PubChem CID 175486563) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 5-bromo-2-methyl-1H-indol-6-ol.

Molecular Properties

Compound Name5-bromo-2-methyl-1H-indol-6-ol
PubChem CID175486563
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name5-bromo-2-methyl-1H-indol-6-ol
SMILESCc1cc2cc(Br)c(O)cc2[nH]1
InChIInChI=1S/C9H8BrNO/c1-5-2-6-3-7(10)9(12)4-8(6)11-5/h2-4,11-12H,1H3
InChIKeyYKERYWZTVAQABS-UHFFFAOYSA-N
XLogP2.94
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1H-indol-6-ol?
The IUPAC name of 5-bromo-2-methyl-1H-indol-6-ol (CID 175486563) is 5-bromo-2-methyl-1H-indol-6-ol.
What is the SMILES notation for 5-bromo-2-methyl-1H-indol-6-ol?
The canonical SMILES for 5-bromo-2-methyl-1H-indol-6-ol is Cc1cc2cc(Br)c(O)cc2[nH]1.
What is the InChIKey of 5-bromo-2-methyl-1H-indol-6-ol?
The InChIKey is YKERYWZTVAQABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c1-5-2-6-3-7(10)9(12)4-8(6)11-5/h2-4,11-12H,1H3.
What are the key properties of 5-bromo-2-methyl-1H-indol-6-ol?
5-bromo-2-methyl-1H-indol-6-ol has a molecular weight of 226.07 g/mol, XLogP of 2.94, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1H-indol-6-ol is sourced from PubChem (CID 175486563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).