(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile

C9H8Cl2N2 — CID 30123245

IUPAC(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
SMILESC[C@](N)(C#N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2N2/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4H,13H2,1H3/t9-/m0/s1
InChIKeyDNXPBZXMGXUMET-VIFPVBQESA-N
MW215.08 g/mol
LogP2.69
Rot. Bonds1

About (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile

(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile (PubChem CID 30123245) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
PubChem CID30123245
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
SMILESC[C@](N)(C#N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2N2/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4H,13H2,1H3/t9-/m0/s1
InChIKeyDNXPBZXMGXUMET-VIFPVBQESA-N
XLogP2.69
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile?
The IUPAC name of (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile (CID 30123245) is (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile.
What is the SMILES notation for (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile?
The canonical SMILES for (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile is C[C@](N)(C#N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile?
The InChIKey is DNXPBZXMGXUMET-VIFPVBQESA-N. The full InChI is InChI=1S/C9H8Cl2N2/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4H,13H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile?
(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile has a molecular weight of 215.08 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile is sourced from PubChem (CID 30123245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).