7-bromo-6-fluoro-2-methylidene-1H-indol-3-one

C9H5BrFNO — CID 145403578

IUPAC7-bromo-6-fluoro-2-methylidene-1H-indol-3-one
SMILESC=C1Nc2c(ccc(F)c2Br)C1=O
InChIInChI=1S/C9H5BrFNO/c1-4-9(13)5-2-3-6(11)7(10)8(5)12-4/h2-3,12H,1H2
InChIKeyLUFCFEUJOQBSJE-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.71
Rot. Bonds

About 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one

7-bromo-6-fluoro-2-methylidene-1H-indol-3-one (PubChem CID 145403578) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-2-methylidene-1H-indol-3-one
PubChem CID145403578
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name7-bromo-6-fluoro-2-methylidene-1H-indol-3-one
SMILESC=C1Nc2c(ccc(F)c2Br)C1=O
InChIInChI=1S/C9H5BrFNO/c1-4-9(13)5-2-3-6(11)7(10)8(5)12-4/h2-3,12H,1H2
InChIKeyLUFCFEUJOQBSJE-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-methylidene-1H-indol-3-one
CID 129077498
6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 172554042
6-fluoro-7-methoxy-1H-indole-2,3-dione
CID 22274397
5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 130876453
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
6-chloro-3-methylideneisoindol-1-one
CID 46863584
4-bromo-3,3,7-trifluoro-1H-indol-2-one
CID 121361952
8-bromo-7-fluoro-1-methylquinolin-2-one
CID 68511508
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401
8-bromo-7-fluoro-3-methyl-1H-isothiochromen-4-one
CID 82885849

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one?
The IUPAC name of 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one (CID 145403578) is 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one.
What is the SMILES notation for 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one?
The canonical SMILES for 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one is C=C1Nc2c(ccc(F)c2Br)C1=O.
What is the InChIKey of 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one?
The InChIKey is LUFCFEUJOQBSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c1-4-9(13)5-2-3-6(11)7(10)8(5)12-4/h2-3,12H,1H2.
What are the key properties of 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one?
7-bromo-6-fluoro-2-methylidene-1H-indol-3-one has a molecular weight of 242.05 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-2-methylidene-1H-indol-3-one is sourced from PubChem (CID 145403578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).