(2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile

C10H11ClN4 — CID 40543905

IUPAC(2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile
SMILESC[C@@H](N)[C@H](C#N)/N=N/c1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-7(13)10(6-12)15-14-9-5-3-2-4-8(9)11/h2-5,7,10H,13H2,1H3/b15-14+/t7-,10+/m1/s1
InChIKeySDTSNYVMCFDKPY-LPUPQANFSA-N
MW222.68 g/mol
LogP2.66
Rot. Bonds3

About (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile

(2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile (PubChem CID 40543905) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile
PubChem CID40543905
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name(2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile
SMILESC[C@@H](N)[C@H](C#N)/N=N/c1ccccc1Cl
InChIInChI=1S/C10H11ClN4/c1-7(13)10(6-12)15-14-9-5-3-2-4-8(9)11/h2-5,7,10H,13H2,1H3/b15-14+/t7-,10+/m1/s1
InChIKeySDTSNYVMCFDKPY-LPUPQANFSA-N
XLogP2.66
TPSA74.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile?
The IUPAC name of (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile (CID 40543905) is (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile.
What is the SMILES notation for (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile?
The canonical SMILES for (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile is C[C@@H](N)[C@H](C#N)/N=N/c1ccccc1Cl.
What is the InChIKey of (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile?
The InChIKey is SDTSNYVMCFDKPY-LPUPQANFSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7(13)10(6-12)15-14-9-5-3-2-4-8(9)11/h2-5,7,10H,13H2,1H3/b15-14+/t7-,10+/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile?
(2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile has a molecular weight of 222.68 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile is sourced from PubChem (CID 40543905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).