5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride

C10H12BrClFN — CID 136576261

IUPAC5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
SMILESCC1(C)CNc2cc(F)c(Br)cc21.Cl
InChIInChI=1S/C10H11BrFN.ClH/c1-10(2)5-13-9-4-8(12)7(11)3-6(9)10;/h3-4,13H,5H2,1-2H3;1H
InChIKeyNNECQJFJDHPJLM-UHFFFAOYSA-N
MW280.57 g/mol
LogP3.71
Rot. Bonds

About 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride

5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride (PubChem CID 136576261) has the molecular formula C10H12BrClFN and a molecular weight of 280.57 g/mol. Its IUPAC name is 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride.

Molecular Properties

Compound Name5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
PubChem CID136576261
Molecular FormulaC10H12BrClFN
Molecular Weight280.57 g/mol
Exact Mass278.98
IUPAC Name5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
SMILESCC1(C)CNc2cc(F)c(Br)cc21.Cl
InChIInChI=1S/C10H11BrFN.ClH/c1-10(2)5-13-9-4-8(12)7(11)3-6(9)10;/h3-4,13H,5H2,1-2H3;1H
InChIKeyNNECQJFJDHPJLM-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-8-fluoro-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115429310
6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole
CID 178022194
7-bromo-8-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 116739886
5-fluoro-3,3-dimethyl-6-propylsulfonyl-1,2-dihydroindole
CID 90231911
6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
CID 116739882
3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride
CID 155625888
7-bromo-6-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline-2-carbaldehyde
CID 175372878
7-bromo-3,3-diethyl-8-fluoro-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115431525
7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
CID 19852053
4,5-difluoro-3,3-dimethyl-1,2-dihydroindole
CID 58386473
3,3,5-trimethyl-1,2-dihydroindole-6-carbonitrile
CID 86724009
3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine
CID 166607952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The IUPAC name of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride (CID 136576261) is 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride.
What is the SMILES notation for 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The canonical SMILES for 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride is CC1(C)CNc2cc(F)c(Br)cc21.Cl.
What is the InChIKey of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The InChIKey is NNECQJFJDHPJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN.ClH/c1-10(2)5-13-9-4-8(12)7(11)3-6(9)10;/h3-4,13H,5H2,1-2H3;1H.
What are the key properties of 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride has a molecular weight of 280.57 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride is sourced from PubChem (CID 136576261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).