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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Related Compounds

5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol
CID 129392202
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
CID 101024891
CID 101024891
6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589767
2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)-3-fluorophenol;2-chlorothiophene;3,10-dibromo-1-fluoro-6-[5-(1-methylcyclopropyl)thiophen-2-yl]-12,12a-dihydro-6H-indolo[1,2-c][1,3]benzoxazine;2-(2,2-dibromo-1-methylcyclopropyl)thiophene;2-(1-methylcyclopropyl)thiophene;5-(1-methylcyclopropyl)thiophene-2-carbaldehyde;2-prop-1-en-2-ylthiophene
CID 162206031
6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193851

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).