3,7-dibromo-5-chloro-1,1-dimethylisoindole

C10H8Br2ClN — CID 142729850

IUPAC3,7-dibromo-5-chloro-1,1-dimethylisoindole
SMILESCC1(C)N=C(Br)c2cc(Cl)cc(Br)c21
InChIInChI=1S/C10H8Br2ClN/c1-10(2)8-6(9(12)14-10)3-5(13)4-7(8)11/h3-4H,1-2H3
InChIKeyZKNQADPCYRXBGR-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.49
Rot. Bonds

About 3,7-dibromo-5-chloro-1,1-dimethylisoindole

3,7-dibromo-5-chloro-1,1-dimethylisoindole (PubChem CID 142729850) has the molecular formula C10H8Br2ClN and a molecular weight of 337.44 g/mol. Its IUPAC name is 3,7-dibromo-5-chloro-1,1-dimethylisoindole.

Molecular Properties

Compound Name3,7-dibromo-5-chloro-1,1-dimethylisoindole
PubChem CID142729850
Molecular FormulaC10H8Br2ClN
Molecular Weight337.44 g/mol
Exact Mass334.87
IUPAC Name3,7-dibromo-5-chloro-1,1-dimethylisoindole
SMILESCC1(C)N=C(Br)c2cc(Cl)cc(Br)c21
InChIInChI=1S/C10H8Br2ClN/c1-10(2)8-6(9(12)14-10)3-5(13)4-7(8)11/h3-4H,1-2H3
InChIKeyZKNQADPCYRXBGR-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-5-chloro-1,1-dimethylisoindole?
The IUPAC name of 3,7-dibromo-5-chloro-1,1-dimethylisoindole (CID 142729850) is 3,7-dibromo-5-chloro-1,1-dimethylisoindole.
What is the SMILES notation for 3,7-dibromo-5-chloro-1,1-dimethylisoindole?
The canonical SMILES for 3,7-dibromo-5-chloro-1,1-dimethylisoindole is CC1(C)N=C(Br)c2cc(Cl)cc(Br)c21.
What is the InChIKey of 3,7-dibromo-5-chloro-1,1-dimethylisoindole?
The InChIKey is ZKNQADPCYRXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClN/c1-10(2)8-6(9(12)14-10)3-5(13)4-7(8)11/h3-4H,1-2H3.
What are the key properties of 3,7-dibromo-5-chloro-1,1-dimethylisoindole?
3,7-dibromo-5-chloro-1,1-dimethylisoindole has a molecular weight of 337.44 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-5-chloro-1,1-dimethylisoindole is sourced from PubChem (CID 142729850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).