7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one

C11H9BrFNO3 — CID 169302798

IUPAC7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one
SMILES[2H]C([2H])(CO)c1c(O)c2ccc(Br)c(F)c2[nH]c1=O
InChIInChI=1S/C11H9BrFNO3/c12-7-2-1-5-9(8(7)13)14-11(17)6(3-4-15)10(5)16/h1-2,15H,3-4H2,(H2,14,16,17)/i3D2
InChIKeyVRXSDNYFGWLTOM-SMZGMGDZSA-N
MW304.11 g/mol
LogP1.67
Rot. Bonds2

About 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one

7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one (PubChem CID 169302798) has the molecular formula C11H9BrFNO3 and a molecular weight of 304.11 g/mol. Its IUPAC name is 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one
PubChem CID169302798
Molecular FormulaC11H9BrFNO3
Molecular Weight304.11 g/mol
Exact Mass302.99
IUPAC Name7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one
SMILES[2H]C([2H])(CO)c1c(O)c2ccc(Br)c(F)c2[nH]c1=O
InChIInChI=1S/C11H9BrFNO3/c12-7-2-1-5-9(8(7)13)14-11(17)6(3-4-15)10(5)16/h1-2,15H,3-4H2,(H2,14,16,17)/i3D2
InChIKeyVRXSDNYFGWLTOM-SMZGMGDZSA-N
XLogP1.67
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one
CID 177252186
3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one
CID 171473819
7-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
CID 169130419
(6-amino-3-bromo-2-fluorophenyl)methanol
CID 67080757
4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
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CID 117341488
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one
CID 46211866
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
5-bromo-8-hydroxy-1H-quinolin-2-one
CID 71742507
5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553149
3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one (CID 169302798) is 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one is [2H]C([2H])(CO)c1c(O)c2ccc(Br)c(F)c2[nH]c1=O.
What is the InChIKey of 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is VRXSDNYFGWLTOM-SMZGMGDZSA-N. The full InChI is InChI=1S/C11H9BrFNO3/c12-7-2-1-5-9(8(7)13)14-11(17)6(3-4-15)10(5)16/h1-2,15H,3-4H2,(H2,14,16,17)/i3D2.
What are the key properties of 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one?
7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 304.11 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 169302798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).