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

C9H10BrNO — CID 71068546

IUPAC(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
SMILESOCC1CNc2ccc(Br)cc21
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-3,6,11-12H,4-5H2
InChIKeyHXZOVHDEIVZTFV-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.95
Rot. Bonds1

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

(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol (PubChem CID 71068546) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
PubChem CID71068546
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
SMILESOCC1CNc2ccc(Br)cc21
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-3,6,11-12H,4-5H2
InChIKeyHXZOVHDEIVZTFV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
3-(5-bromo-2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117202167
3-(5-bromo-2,3-dihydro-1H-indol-3-yl)-2-methylpropanoic acid
CID 117202166
5-bromo-3-pent-3-ynyl-2,3-dihydro-1H-indole
CID 106986488
(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine
CID 82276709
(3S,4R)-6-bromo-4-prop-2-enyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 69469816
5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618
5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137755
1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 83866994
(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol;hydrochloride
CID 136576225

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol (CID 71068546) is (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol is OCC1CNc2ccc(Br)cc21.
What is the InChIKey of (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol?
The InChIKey is HXZOVHDEIVZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-3,6,11-12H,4-5H2.
What are the key properties of (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol?
(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol has a molecular weight of 228.09 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1H-indol-3-yl)methanol is sourced from PubChem (CID 71068546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).