(2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile

C10H11BrN2 — CID 26967064

IUPAC(2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)[C@H](C#N)c1ccccc1Br
InChIInChI=1S/C10H11BrN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3/t10-/m1/s1
InChIKeyHYRRJFUQMCBRMD-SNVBAGLBSA-N
MW239.12 g/mol
LogP2.58
Rot. Bonds2

About (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile

(2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile (PubChem CID 26967064) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile
PubChem CID26967064
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name(2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)[C@H](C#N)c1ccccc1Br
InChIInChI=1S/C10H11BrN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3/t10-/m1/s1
InChIKeyHYRRJFUQMCBRMD-SNVBAGLBSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
The IUPAC name of (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile (CID 26967064) is (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
The canonical SMILES for (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile is CN(C)[C@H](C#N)c1ccccc1Br.
What is the InChIKey of (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
The InChIKey is HYRRJFUQMCBRMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
(2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile has a molecular weight of 239.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenyl)-2-(dimethylamino)acetonitrile is sourced from PubChem (CID 26967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).