1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H11BrFNO3 — CID 168663944

IUPAC1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(Br)cc(F)c1O
InChIInChI=1S/C11H11BrFNO3/c12-7-2-8(13)11(17)9(3-7)14-4-6(5-15)1-10(14)16/h2-3,6,15,17H,1,4-5H2
InChIKeyJLYKURVSRYVUBA-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.64
Rot. Bonds2

About 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663944) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663944
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(Br)cc(F)c1O
InChIInChI=1S/C11H11BrFNO3/c12-7-2-8(13)11(17)9(3-7)14-4-6(5-15)1-10(14)16/h2-3,6,15,17H,1,4-5H2
InChIKeyJLYKURVSRYVUBA-UHFFFAOYSA-N
XLogP1.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168686294
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(2,4-dichloro-5-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663323
1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663363
5-bromo-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168663637
[1-(2-amino-5-bromo-3-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677483
1-(3-bromo-5-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 107579664
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663357
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663711
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
1-(2-bromo-4-tert-butylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661949

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663944) is 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1cc(Br)cc(F)c1O.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is JLYKURVSRYVUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c12-7-2-8(13)11(17)9(3-7)14-4-6(5-15)1-10(14)16/h2-3,6,15,17H,1,4-5H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 304.12 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).