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

C14H10Br2FNO — CID 90298097

IUPAC5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol
SMILESOc1cc(Br)cc(F)c1[C@@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C14H10Br2FNO/c15-8-1-2-11-7(3-8)4-12(18-11)14-10(17)5-9(16)6-13(14)19/h1-3,5-6,12,18-19H,4H2/t12-/m0/s1
InChIKeyWTVGYNUPPTXVJT-LBPRGKRZSA-N
MW387.05 g/mol
LogP4.77
Rot. Bonds1

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

5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol (PubChem CID 90298097) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol
PubChem CID90298097
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol
SMILESOc1cc(Br)cc(F)c1[C@@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C14H10Br2FNO/c15-8-1-2-11-7(3-8)4-12(18-11)14-10(17)5-9(16)6-13(14)19/h1-3,5-6,12,18-19H,4H2/t12-/m0/s1
InChIKeyWTVGYNUPPTXVJT-LBPRGKRZSA-N
XLogP4.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol?
The IUPAC name of 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol (CID 90298097) is 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol.
What is the SMILES notation for 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol?
The canonical SMILES for 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol is Oc1cc(Br)cc(F)c1[C@@H]1Cc2cc(Br)ccc2N1.
What is the InChIKey of 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol?
The InChIKey is WTVGYNUPPTXVJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c15-8-1-2-11-7(3-8)4-12(18-11)14-10(17)5-9(16)6-13(14)19/h1-3,5-6,12,18-19H,4H2/t12-/m0/s1.
What are the key properties of 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol?
5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol has a molecular weight of 387.05 g/mol, XLogP of 4.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol is sourced from PubChem (CID 90298097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).