5-bromo-7-fluoro-2H-isoindol-1-ol

C8H5BrFNO — CID 91077012

IUPAC5-bromo-7-fluoro-2H-isoindol-1-ol
SMILESOc1[nH]cc2cc(Br)cc(F)c12
InChIInChI=1S/C8H5BrFNO/c9-5-1-4-3-11-8(12)7(4)6(10)2-5/h1-3,11-12H
InChIKeyKTLHEVDPSYYMHX-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.78
Rot. Bonds

About 5-bromo-7-fluoro-2H-isoindol-1-ol

5-bromo-7-fluoro-2H-isoindol-1-ol (PubChem CID 91077012) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2H-isoindol-1-ol.

Molecular Properties

Compound Name5-bromo-7-fluoro-2H-isoindol-1-ol
PubChem CID91077012
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name5-bromo-7-fluoro-2H-isoindol-1-ol
SMILESOc1[nH]cc2cc(Br)cc(F)c12
InChIInChI=1S/C8H5BrFNO/c9-5-1-4-3-11-8(12)7(4)6(10)2-5/h1-3,11-12H
InChIKeyKTLHEVDPSYYMHX-UHFFFAOYSA-N
XLogP2.78
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Isoindolol
CID 21225249
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoindol-1-ol
CID 90739493
5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
CID 90761158
7-Bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
CID 90831098
6-fluoro-7-methyl-2H-isoindol-1-ol
CID 90923682
6-amino-7-fluoro-2H-isoindol-1-ol
CID 91085801
5-Bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol
CID 91110685
5-bromo-2-[(1S)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
CID 91144243
5-Bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol
CID 91156180
6-amino-5-fluoro-2H-isoindol-1-ol
CID 91307794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2H-isoindol-1-ol?
The IUPAC name of 5-bromo-7-fluoro-2H-isoindol-1-ol (CID 91077012) is 5-bromo-7-fluoro-2H-isoindol-1-ol.
What is the SMILES notation for 5-bromo-7-fluoro-2H-isoindol-1-ol?
The canonical SMILES for 5-bromo-7-fluoro-2H-isoindol-1-ol is Oc1[nH]cc2cc(Br)cc(F)c12.
What is the InChIKey of 5-bromo-7-fluoro-2H-isoindol-1-ol?
The InChIKey is KTLHEVDPSYYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-5-1-4-3-11-8(12)7(4)6(10)2-5/h1-3,11-12H.
What are the key properties of 5-bromo-7-fluoro-2H-isoindol-1-ol?
5-bromo-7-fluoro-2H-isoindol-1-ol has a molecular weight of 230.04 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-2H-isoindol-1-ol is sourced from PubChem (CID 91077012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).