2-(3-bromophenyl)-2-methylpropanenitrile

C10H10BrN — CID 10513294

IUPAC2-(3-bromophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cccc(Br)c1
InChIInChI=1S/C10H10BrN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,1-2H3
InChIKeyNKECRCMIFURWMK-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.25
Rot. Bonds1

About 2-(3-bromophenyl)-2-methylpropanenitrile

2-(3-bromophenyl)-2-methylpropanenitrile (PubChem CID 10513294) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-methylpropanenitrile
PubChem CID10513294
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name2-(3-bromophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cccc(Br)c1
InChIInChI=1S/C10H10BrN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,1-2H3
InChIKeyNKECRCMIFURWMK-UHFFFAOYSA-N
XLogP3.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-bromophenyl)-2-methylpropanenitrile (CID 10513294) is 2-(3-bromophenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-bromophenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-bromophenyl)-2-methylpropanenitrile is CC(C)(C#N)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-methylpropanenitrile?
The InChIKey is NKECRCMIFURWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-methylpropanenitrile?
2-(3-bromophenyl)-2-methylpropanenitrile has a molecular weight of 224.10 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-methylpropanenitrile is sourced from PubChem (CID 10513294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).