(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol

C9H10BrNO — CID 83918189

IUPAC(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
SMILESOCC1Cc2ccc(Br)cc2N1
InChIInChI=1S/C9H10BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-2,4,8,11-12H,3,5H2
InChIKeyNSOIFXMCSOITKA-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.78
Rot. Bonds1

About (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol

(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol (PubChem CID 83918189) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
PubChem CID83918189
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
SMILESOCC1Cc2ccc(Br)cc2N1
InChIInChI=1S/C9H10BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-2,4,8,11-12H,3,5H2
InChIKeyNSOIFXMCSOITKA-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol?
The IUPAC name of (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol (CID 83918189) is (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol.
What is the SMILES notation for (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol?
The canonical SMILES for (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol is OCC1Cc2ccc(Br)cc2N1.
What is the InChIKey of (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol?
The InChIKey is NSOIFXMCSOITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-2,4,8,11-12H,3,5H2.
What are the key properties of (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol?
(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol has a molecular weight of 228.09 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1H-indol-2-yl)methanol is sourced from PubChem (CID 83918189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).