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

C9H10BrNO — CID 131181494

IUPAC[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
SMILESOC[C@@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-3,8,11-12H,4-5H2/t8-/m0/s1
InChIKeyZDHOHMXRILUWTN-QMMMGPOBSA-N
MW228.09 g/mol
LogP1.78
Rot. Bonds1

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

[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol (PubChem CID 131181494) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
PubChem CID131181494
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
SMILESOC[C@@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-3,8,11-12H,4-5H2/t8-/m0/s1
InChIKeyZDHOHMXRILUWTN-QMMMGPOBSA-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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Related Compounds

(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
CID 83918189
CID 101024891
CID 101024891
[(2R)-5-iodo-2,3-dihydro-1H-indol-2-yl]methanol
CID 130722404
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83867014
[(2R)-6-iodo-2,3-dihydro-1H-indol-2-yl]methanol
CID 130708719
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
CID 84641162
[(2R)-6-ethenyl-2,3-dihydro-1H-indol-2-yl]methanol
CID 130684049
2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 130040098
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol?
The IUPAC name of [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol (CID 131181494) is [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol.
What is the SMILES notation for [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol?
The canonical SMILES for [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol is OC[C@@H]1Cc2cc(Br)ccc2N1.
What is the InChIKey of [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol?
The InChIKey is ZDHOHMXRILUWTN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-3,8,11-12H,4-5H2/t8-/m0/s1.
What are the key properties of [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol?
[(2S)-5-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 [(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol is sourced from PubChem (CID 131181494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).