propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate

C16H16ClN5O2 — CID 86041630

IUPACpropan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate
SMILESCC(C)OC(=O)C(N=Nc1ccccn1)/N=N/c1ccccc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-11(2)24-16(23)15(22-20-14-9-5-6-10-18-14)21-19-13-8-4-3-7-12(13)17/h3-11,15H,1-2H3/b21-19+,22-20?
InChIKeyOPRUQMSVPFEFIJ-DWSKATBESA-N
MW345.79 g/mol
LogP4.88
Rot. Bonds6

About propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate

propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate (PubChem CID 86041630) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate
PubChem CID86041630
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Namepropan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate
SMILESCC(C)OC(=O)C(N=Nc1ccccn1)/N=N/c1ccccc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-11(2)24-16(23)15(22-20-14-9-5-6-10-18-14)21-19-13-8-4-3-7-12(13)17/h3-11,15H,1-2H3/b21-19+,22-20?
InChIKeyOPRUQMSVPFEFIJ-DWSKATBESA-N
XLogP4.88
TPSA88.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl(pyridin-2-yl)diazene
CID 123501557
[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate
CID 102256503
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
ethyl (NZ)-N-pyridin-2-yliminocarbamate
CID 10773684
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
dipropan-2-yl 2-[3-(benzylideneamino)-2-pyridinyl]propanedioate
CID 132598419
[2-[(2,3-dichlorophenyl)-(pyrimidin-2-ylamino)methyl]phenoxy]methyl propan-2-yl carbonate
CID 174321014
(2R,3R)-3-amino-2-[(2-chlorophenyl)diazenyl]butanenitrile
CID 40543905
ethyl (E)-2-[(2-chlorophenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135543149
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
oxophosphanium;propan-2-yl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 161276355

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate?
The IUPAC name of propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate (CID 86041630) is propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate.
What is the SMILES notation for propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate?
The canonical SMILES for propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate is CC(C)OC(=O)C(N=Nc1ccccn1)/N=N/c1ccccc1Cl.
What is the InChIKey of propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate?
The InChIKey is OPRUQMSVPFEFIJ-DWSKATBESA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-11(2)24-16(23)15(22-20-14-9-5-6-10-18-14)21-19-13-8-4-3-7-12(13)17/h3-11,15H,1-2H3/b21-19+,22-20?.
What are the key properties of propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate?
propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate has a molecular weight of 345.79 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate is sourced from PubChem (CID 86041630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).