7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one

C9H7BrFNO2 — CID 176738706

IUPAC7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2cc(Br)ccc2C(O)C1F
InChIInChI=1S/C9H7BrFNO2/c10-4-1-2-5-6(3-4)12-9(14)7(11)8(5)13/h1-3,7-8,13H,(H,12,14)
InChIKeyCIFLGQMTGQQWRZ-UHFFFAOYSA-N
MW260.06 g/mol
LogP1.77
Rot. Bonds

About 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one

7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 176738706) has the molecular formula C9H7BrFNO2 and a molecular weight of 260.06 g/mol. Its IUPAC name is 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID176738706
Molecular FormulaC9H7BrFNO2
Molecular Weight260.06 g/mol
Exact Mass258.96
IUPAC Name7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2cc(Br)ccc2C(O)C1F
InChIInChI=1S/C9H7BrFNO2/c10-4-1-2-5-6(3-4)12-9(14)7(11)8(5)13/h1-3,7-8,13H,(H,12,14)
InChIKeyCIFLGQMTGQQWRZ-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 176738706) is 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2cc(Br)ccc2C(O)C1F.
What is the InChIKey of 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CIFLGQMTGQQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO2/c10-4-1-2-5-6(3-4)12-9(14)7(11)8(5)13/h1-3,7-8,13H,(H,12,14).
What are the key properties of 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 260.06 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-fluoro-4-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 176738706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).