2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile

C15H8BrCl2NO — CID 43560765

IUPAC2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cc(Cl)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H8BrCl2NO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-7-11(17)4-5-14(12)18/h1-7,13H
InChIKeyFMBIMPYZGYVHFQ-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.25
Rot. Bonds3

About 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile

2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile (PubChem CID 43560765) has the molecular formula C15H8BrCl2NO and a molecular weight of 369.05 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile
PubChem CID43560765
Molecular FormulaC15H8BrCl2NO
Molecular Weight369.05 g/mol
Exact Mass366.92
IUPAC Name2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cc(Cl)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H8BrCl2NO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-7-11(17)4-5-14(12)18/h1-7,13H
InChIKeyFMBIMPYZGYVHFQ-UHFFFAOYSA-N
XLogP5.25
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43560768
2-(3-bromophenyl)-3-(3-chloro-2-methylphenyl)-3-oxopropanenitrile
CID 107096954
3-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 63525402
2-(3-bromophenyl)-3-(4-chloro-3-fluorophenyl)-3-oxopropanenitrile
CID 107988482
2-(3-bromophenyl)-3-(2-chlorofuran-3-yl)-3-oxopropanenitrile
CID 106687451
3-(2-bromophenyl)-2-(3-chlorophenyl)-3-oxopropanenitrile
CID 43156782
3-(2-bromo-4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 107988507
3-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)-3-oxopropanenitrile
CID 107988512
3-(4-bromophenyl)-2-(3-chlorophenyl)-3-oxopropanenitrile
CID 43333981
3-(5-bromo-2-chlorophenyl)-2-(4-methylphenyl)-3-oxopropanenitrile
CID 62829977
3-(2-bromo-5-methylphenyl)-2-(3-chlorophenyl)-3-oxopropanenitrile
CID 81110330
2-(4-chlorophenyl)-3-(2,5-dibromophenyl)-3-oxopropanenitrile
CID 114373083

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile?
The IUPAC name of 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile (CID 43560765) is 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1cc(Cl)ccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile?
The InChIKey is FMBIMPYZGYVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-7-11(17)4-5-14(12)18/h1-7,13H.
What are the key properties of 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile?
2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile has a molecular weight of 369.05 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2,5-dichlorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 43560765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).