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

C9H8BrNO — CID 4272891

IUPAC(5-bromo-1H-indol-3-yl)methanol
SMILESOCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H8BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-4,11-12H,5H2
InChIKeyUBNBFZVNTVNJQV-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.42
Rot. Bonds1

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

(5-bromo-1H-indol-3-yl)methanol (PubChem CID 4272891) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)methanol
PubChem CID4272891
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name(5-bromo-1H-indol-3-yl)methanol
SMILESOCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H8BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-4,11-12H,5H2
InChIKeyUBNBFZVNTVNJQV-UHFFFAOYSA-N
XLogP2.42
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)methanol?
The IUPAC name of (5-bromo-1H-indol-3-yl)methanol (CID 4272891) is (5-bromo-1H-indol-3-yl)methanol.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)methanol?
The canonical SMILES for (5-bromo-1H-indol-3-yl)methanol is OCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)methanol?
The InChIKey is UBNBFZVNTVNJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-4,11-12H,5H2.
What are the key properties of (5-bromo-1H-indol-3-yl)methanol?
(5-bromo-1H-indol-3-yl)methanol has a molecular weight of 226.07 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)methanol is sourced from PubChem (CID 4272891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).