6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one

C9H6BrF2NO — CID 176884703

IUPAC6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cc(F)c(Br)c2F)N1
InChIInChI=1S/C9H6BrF2NO/c10-8-5(11)3-6-4(9(8)12)1-2-7(14)13-6/h3H,1-2H2,(H,13,14)
InChIKeyFDSRRTIXPLIKAZ-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.61
Rot. Bonds

About 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one

6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 176884703) has the molecular formula C9H6BrF2NO and a molecular weight of 262.05 g/mol. Its IUPAC name is 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID176884703
Molecular FormulaC9H6BrF2NO
Molecular Weight262.05 g/mol
Exact Mass260.96
IUPAC Name6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cc(F)c(Br)c2F)N1
InChIInChI=1S/C9H6BrF2NO/c10-8-5(11)3-6-4(9(8)12)1-2-7(14)13-6/h3H,1-2H2,(H,13,14)
InChIKeyFDSRRTIXPLIKAZ-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 145472330
8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 130051331
7-bromo-8-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290408
6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 101479515
6-chloro-4-fluoro-1,3-dihydroindol-2-one
CID 66634278
6-fluoro-8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 88976977
5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82213232
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481
6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117209531
5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82213230
7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione
CID 169149189

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one (CID 176884703) is 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cc(F)c(Br)c2F)N1.
What is the InChIKey of 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FDSRRTIXPLIKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2NO/c10-8-5(11)3-6-4(9(8)12)1-2-7(14)13-6/h3H,1-2H2,(H,13,14).
What are the key properties of 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one?
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.05 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 176884703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).