[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate

C15H15N3O2 — CID 170432505

IUPAC[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(2)15(19)20-14-5-3-12(4-6-14)17-18-13-7-9-16-10-8-13/h3-11H,1-2H3/b18-17+
InChIKeyQOQZVUSKUWKQDE-ISLYRVAYSA-N
MW269.30 g/mol
LogP4.06
Rot. Bonds4

About [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate

[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate (PubChem CID 170432505) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate
PubChem CID170432505
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(2)15(19)20-14-5-3-12(4-6-14)17-18-13-7-9-16-10-8-13/h3-11H,1-2H3/b18-17+
InChIKeyQOQZVUSKUWKQDE-ISLYRVAYSA-N
XLogP4.06
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
(4-aminophenyl) 2-methylpropanoate;hydrochloride
CID 174366284
[4-(pyridin-4-yldiazenyl)phenyl] 4-octan-2-yloxybenzoate
CID 132821111
[4-(2-methylpropanoyloxy)phenyl] 4-(diaminomethylideneamino)benzoate
CID 23341009
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
[3,5-bis[[4-(2-methylpropanoyloxy)benzoyl]oxy]phenyl] 4-(2-methylpropanoyloxy)benzoate
CID 118041943
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541
(7,8-dimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl) 2-methylpropanoate
CID 89373330
[4-[(4-ethylphenyl)diazenyl]phenyl] acetate
CID 4188126
(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene
CID 132821109

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate?
The IUPAC name of [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate (CID 170432505) is [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate.
What is the SMILES notation for [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate?
The canonical SMILES for [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate is CC(C)C(=O)Oc1ccc(/N=N/c2ccncc2)cc1.
What is the InChIKey of [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate?
The InChIKey is QOQZVUSKUWKQDE-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(2)15(19)20-14-5-3-12(4-6-14)17-18-13-7-9-16-10-8-13/h3-11H,1-2H3/b18-17+.
What are the key properties of [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate?
[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate has a molecular weight of 269.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate is sourced from PubChem (CID 170432505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).