5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one

C9H4F3NO2 — CID 68614038

IUPAC5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)c(F)c(F)c2cc1O
InChIInChI=1S/C9H4F3NO2/c10-4-2-5-3(7(11)8(4)12)1-6(14)9(15)13-5/h1-2,14H,(H,13,15)
InChIKeyMDNGBBOXUMLFRZ-UHFFFAOYSA-N
MW215.13 g/mol
LogP1.65
Rot. Bonds

About 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one

5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one (PubChem CID 68614038) has the molecular formula C9H4F3NO2 and a molecular weight of 215.13 g/mol. Its IUPAC name is 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one
PubChem CID68614038
Molecular FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
Exact Mass215.02
IUPAC Name5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)c(F)c(F)c2cc1O
InChIInChI=1S/C9H4F3NO2/c10-4-2-5-3(7(11)8(4)12)1-6(14)9(15)13-5/h1-2,14H,(H,13,15)
InChIKeyMDNGBBOXUMLFRZ-UHFFFAOYSA-N
XLogP1.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-hydroxy-5-methyl-1H-quinolin-2-one
CID 68640700
5-ethyl-8-fluoro-3-hydroxy-1H-quinolin-2-one
CID 68636296
5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione
CID 67840682
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
3-hydroxy-6,7-dimethyl-1H-quinolin-2-one
CID 177377378
4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
CID 175928743
2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one
CID 46211991
2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol
CID 22178277
7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one
CID 169110544
3,5,6-trifluoro-1H-pyridin-2-one
CID 23340297
2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
CID 177350565

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one (CID 68614038) is 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(F)c(F)c(F)c2cc1O.
What is the InChIKey of 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one?
The InChIKey is MDNGBBOXUMLFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2/c10-4-2-5-3(7(11)8(4)12)1-6(14)9(15)13-5/h1-2,14H,(H,13,15).
What are the key properties of 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one?
5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one has a molecular weight of 215.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 68614038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).