2-bromo-6-[ethyl(methyl)amino]benzonitrile

C10H11BrN2 — CID 114880583

IUPAC2-bromo-6-[ethyl(methyl)amino]benzonitrile
SMILESCCN(C)c1cccc(Br)c1C#N
InChIInChI=1S/C10H11BrN2/c1-3-13(2)10-6-4-5-9(11)8(10)7-12/h4-6H,3H2,1-2H3
InChIKeyFVSNCYSWGHOGLH-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.78
Rot. Bonds2

About 2-bromo-6-[ethyl(methyl)amino]benzonitrile

2-bromo-6-[ethyl(methyl)amino]benzonitrile (PubChem CID 114880583) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-bromo-6-[ethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[ethyl(methyl)amino]benzonitrile
PubChem CID114880583
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-bromo-6-[ethyl(methyl)amino]benzonitrile
SMILESCCN(C)c1cccc(Br)c1C#N
InChIInChI=1S/C10H11BrN2/c1-3-13(2)10-6-4-5-9(11)8(10)7-12/h4-6H,3H2,1-2H3
InChIKeyFVSNCYSWGHOGLH-UHFFFAOYSA-N
XLogP2.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[ethyl(methyl)amino]benzonitrile?
The IUPAC name of 2-bromo-6-[ethyl(methyl)amino]benzonitrile (CID 114880583) is 2-bromo-6-[ethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[ethyl(methyl)amino]benzonitrile?
The canonical SMILES for 2-bromo-6-[ethyl(methyl)amino]benzonitrile is CCN(C)c1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-[ethyl(methyl)amino]benzonitrile?
The InChIKey is FVSNCYSWGHOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-3-13(2)10-6-4-5-9(11)8(10)7-12/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-6-[ethyl(methyl)amino]benzonitrile?
2-bromo-6-[ethyl(methyl)amino]benzonitrile has a molecular weight of 239.12 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[ethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 114880583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).