(3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol

C11H9BrFNO — CID 166711607

IUPAC(3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
SMILESO[C@H]1CCn2c1cc1cc(F)c(Br)cc12
InChIInChI=1S/C11H9BrFNO/c12-7-5-9-6(3-8(7)13)4-10-11(15)1-2-14(9)10/h3-5,11,15H,1-2H2/t11-/m0/s1
InChIKeyYFLSZWGSCNOWMA-NSHDSACASA-N
MW270.10 g/mol
LogP2.98
Rot. Bonds

About (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol

(3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol (PubChem CID 166711607) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol.

Molecular Properties

Compound Name(3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
PubChem CID166711607
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name(3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
SMILESO[C@H]1CCn2c1cc1cc(F)c(Br)cc12
InChIInChI=1S/C11H9BrFNO/c12-7-5-9-6(3-8(7)13)4-10-11(15)1-2-14(9)10/h3-5,11,15H,1-2H2/t11-/m0/s1
InChIKeyYFLSZWGSCNOWMA-NSHDSACASA-N
XLogP2.98
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
The IUPAC name of (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol (CID 166711607) is (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol.
What is the SMILES notation for (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
The canonical SMILES for (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol is O[C@H]1CCn2c1cc1cc(F)c(Br)cc12.
What is the InChIKey of (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
The InChIKey is YFLSZWGSCNOWMA-NSHDSACASA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-7-5-9-6(3-8(7)13)4-10-11(15)1-2-14(9)10/h3-5,11,15H,1-2H2/t11-/m0/s1.
What are the key properties of (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol?
(3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol has a molecular weight of 270.10 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol is sourced from PubChem (CID 166711607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).