5-bromo-2-(3-cyano-N-methylanilino)benzonitrile

C15H10BrN3 — CID 114890310

IUPAC5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccc(Br)cc1C#N
InChIInChI=1S/C15H10BrN3/c1-19(14-4-2-3-11(7-14)9-17)15-6-5-13(16)8-12(15)10-18/h2-8H,1H3
InChIKeyPSLRLUZWADIJFX-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.96
Rot. Bonds2

About 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile

5-bromo-2-(3-cyano-N-methylanilino)benzonitrile (PubChem CID 114890310) has the molecular formula C15H10BrN3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
PubChem CID114890310
Molecular FormulaC15H10BrN3
Molecular Weight312.17 g/mol
Exact Mass311.01
IUPAC Name5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ccc(Br)cc1C#N
InChIInChI=1S/C15H10BrN3/c1-19(14-4-2-3-11(7-14)9-17)15-6-5-13(16)8-12(15)10-18/h2-8H,1H3
InChIKeyPSLRLUZWADIJFX-UHFFFAOYSA-N
XLogP3.96
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673765
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]benzonitrile
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3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
CID 63094271
5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile
CID 114890619
5-bromo-2-(N,2,4-trimethylanilino)benzonitrile
CID 114890621
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311
3-[4-(bromomethyl)-2-chloro-N-methylanilino]benzonitrile
CID 107083043
5-amino-2-(N-methylanilino)benzonitrile
CID 61285979
2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
CID 79513741
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
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3-[2-(chloromethyl)-N-methylanilino]benzonitrile
CID 62981874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile?
The IUPAC name of 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile (CID 114890310) is 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile.
What is the SMILES notation for 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile?
The canonical SMILES for 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile is CN(c1cccc(C#N)c1)c1ccc(Br)cc1C#N.
What is the InChIKey of 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile?
The InChIKey is PSLRLUZWADIJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3/c1-19(14-4-2-3-11(7-14)9-17)15-6-5-13(16)8-12(15)10-18/h2-8H,1H3.
What are the key properties of 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile?
5-bromo-2-(3-cyano-N-methylanilino)benzonitrile has a molecular weight of 312.17 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-cyano-N-methylanilino)benzonitrile is sourced from PubChem (CID 114890310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).