(5-bromo-3-methyl-1H-indol-2-yl)methanol

C10H10BrNO — CID 22025386

IUPAC(5-bromo-3-methyl-1H-indol-2-yl)methanol
SMILESCc1c(CO)[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H10BrNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-4,12-13H,5H2,1H3
InChIKeyUXXWIWFJZKRNDQ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.73
Rot. Bonds1

About (5-bromo-3-methyl-1H-indol-2-yl)methanol

(5-bromo-3-methyl-1H-indol-2-yl)methanol (PubChem CID 22025386) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (5-bromo-3-methyl-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyl-1H-indol-2-yl)methanol
PubChem CID22025386
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(5-bromo-3-methyl-1H-indol-2-yl)methanol
SMILESCc1c(CO)[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H10BrNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-4,12-13H,5H2,1H3
InChIKeyUXXWIWFJZKRNDQ-UHFFFAOYSA-N
XLogP2.73
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1H-indol-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyl-1H-indol-2-yl)methanol (CID 22025386) is (5-bromo-3-methyl-1H-indol-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyl-1H-indol-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyl-1H-indol-2-yl)methanol is Cc1c(CO)[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1H-indol-2-yl)methanol?
The InChIKey is UXXWIWFJZKRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-4,12-13H,5H2,1H3.
What are the key properties of (5-bromo-3-methyl-1H-indol-2-yl)methanol?
(5-bromo-3-methyl-1H-indol-2-yl)methanol has a molecular weight of 240.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1H-indol-2-yl)methanol is sourced from PubChem (CID 22025386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).