7-bromo-3-methyl-1H-indol-4-ol

C9H8BrNO — CID 130049779

IUPAC7-bromo-3-methyl-1H-indol-4-ol
SMILESCc1c[nH]c2c(Br)ccc(O)c12
InChIInChI=1S/C9H8BrNO/c1-5-4-11-9-6(10)2-3-7(12)8(5)9/h2-4,11-12H,1H3
InChIKeyUFSFISSKJSKLHF-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.94
Rot. Bonds

About 7-bromo-3-methyl-1H-indol-4-ol

7-bromo-3-methyl-1H-indol-4-ol (PubChem CID 130049779) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 7-bromo-3-methyl-1H-indol-4-ol.

Molecular Properties

Compound Name7-bromo-3-methyl-1H-indol-4-ol
PubChem CID130049779
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name7-bromo-3-methyl-1H-indol-4-ol
SMILESCc1c[nH]c2c(Br)ccc(O)c12
InChIInChI=1S/C9H8BrNO/c1-5-4-11-9-6(10)2-3-7(12)8(5)9/h2-4,11-12H,1H3
InChIKeyUFSFISSKJSKLHF-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 7-bromo-3-methyl-1H-indol-4-ol?
The IUPAC name of 7-bromo-3-methyl-1H-indol-4-ol (CID 130049779) is 7-bromo-3-methyl-1H-indol-4-ol.
What is the SMILES notation for 7-bromo-3-methyl-1H-indol-4-ol?
The canonical SMILES for 7-bromo-3-methyl-1H-indol-4-ol is Cc1c[nH]c2c(Br)ccc(O)c12.
What is the InChIKey of 7-bromo-3-methyl-1H-indol-4-ol?
The InChIKey is UFSFISSKJSKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c1-5-4-11-9-6(10)2-3-7(12)8(5)9/h2-4,11-12H,1H3.
What are the key properties of 7-bromo-3-methyl-1H-indol-4-ol?
7-bromo-3-methyl-1H-indol-4-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 7-bromo-3-methyl-1H-indol-4-ol is sourced from PubChem (CID 130049779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).