3-amino-6-bromoisoindol-1-one;hydrochloride

C8H6BrClN2O — CID 67276291

IUPAC3-amino-6-bromoisoindol-1-one;hydrochloride
SMILESCl.NC1=NC(=O)c2cc(Br)ccc21
InChIInChI=1S/C8H5BrN2O.ClH/c9-4-1-2-5-6(3-4)8(12)11-7(5)10;/h1-3H,(H2,10,11,12);1H
InChIKeyOTKCRWKNUCUOSY-UHFFFAOYSA-N
MW261.51 g/mol
LogP1.73
Rot. Bonds

About 3-amino-6-bromoisoindol-1-one;hydrochloride

3-amino-6-bromoisoindol-1-one;hydrochloride (PubChem CID 67276291) has the molecular formula C8H6BrClN2O and a molecular weight of 261.51 g/mol. Its IUPAC name is 3-amino-6-bromoisoindol-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-6-bromoisoindol-1-one;hydrochloride
PubChem CID67276291
Molecular FormulaC8H6BrClN2O
Molecular Weight261.51 g/mol
Exact Mass259.94
IUPAC Name3-amino-6-bromoisoindol-1-one;hydrochloride
SMILESCl.NC1=NC(=O)c2cc(Br)ccc21
InChIInChI=1S/C8H5BrN2O.ClH/c9-4-1-2-5-6(3-4)8(12)11-7(5)10;/h1-3H,(H2,10,11,12);1H
InChIKeyOTKCRWKNUCUOSY-UHFFFAOYSA-N
XLogP1.73
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-6-bromoisoindol-1-one
CID 10059531
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CID 159425513
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CID 11221538
7-bromoindeno[1,2-c]pyridin-5-one
CID 19093448
5-bromo-3H-isoindol-1-amine
CID 123363476
2-bromo-10-methylideneanthracen-9-one
CID 89197821
(2S)-5-bromo-2-(6-methylquinolin-2-yl)indene-1,3-dione
CID 98107557
3-bromo-6-hydroxyphenanthrene-9,10-dione
CID 67151152
2-bromo-7-methyl-9-methylidenefluorene
CID 143934053
2-bromotetracene-5,12-dione
CID 15745128
6-bromoindol-3-one
CID 76853006
2,7-dibromo-9-sulfinylfluorene
CID 134924114

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromoisoindol-1-one;hydrochloride?
The IUPAC name of 3-amino-6-bromoisoindol-1-one;hydrochloride (CID 67276291) is 3-amino-6-bromoisoindol-1-one;hydrochloride.
What is the SMILES notation for 3-amino-6-bromoisoindol-1-one;hydrochloride?
The canonical SMILES for 3-amino-6-bromoisoindol-1-one;hydrochloride is Cl.NC1=NC(=O)c2cc(Br)ccc21.
What is the InChIKey of 3-amino-6-bromoisoindol-1-one;hydrochloride?
The InChIKey is OTKCRWKNUCUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O.ClH/c9-4-1-2-5-6(3-4)8(12)11-7(5)10;/h1-3H,(H2,10,11,12);1H.
What are the key properties of 3-amino-6-bromoisoindol-1-one;hydrochloride?
3-amino-6-bromoisoindol-1-one;hydrochloride has a molecular weight of 261.51 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromoisoindol-1-one;hydrochloride is sourced from PubChem (CID 67276291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).