[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate

C13H13N5O2 — CID 164909288

IUPAC[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/N=N/c1ccc(N)nc1N
InChIInChI=1S/C13H13N5O2/c1-8(19)20-11-5-3-2-4-9(11)17-18-10-6-7-12(14)16-13(10)15/h2-7H,1H3,(H4,14,15,16)/b18-17+
InChIKeyMOPYDRLMDDUMDA-ISLYRVAYSA-N
MW271.28 g/mol
LogP2.59
Rot. Bonds3

About [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate

[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate (PubChem CID 164909288) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate
PubChem CID164909288
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/N=N/c1ccc(N)nc1N
InChIInChI=1S/C13H13N5O2/c1-8(19)20-11-5-3-2-4-9(11)17-18-10-6-7-12(14)16-13(10)15/h2-7H,1H3,(H4,14,15,16)/b18-17+
InChIKeyMOPYDRLMDDUMDA-ISLYRVAYSA-N
XLogP2.59
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(2R)-2-[[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenoxy]carbonylamino]-3-methylbutanoic acid
CID 164909088
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate
CID 164908675
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 2-methylbutanoate;N-methylmethanamine
CID 164908820
[2-[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenoxy]-2-oxoethyl] 2,2-dimethylpropanoate
CID 164909063
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 3,5-dimethylheptanoate
CID 174266374
acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173010662
acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87308906
N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]acetamide
CID 164908733
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate
CID 164909180
3-phenyldiazenylpyridine-2,6-diamine;hydrate
CID 139146043
phenyl 3-[(2,6-diamino-3-pyridinyl)diazenyl]propanoate
CID 175516329
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
CID 174261142

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate?
The IUPAC name of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate (CID 164909288) is [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate.
What is the SMILES notation for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate?
The canonical SMILES for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate is CC(=O)Oc1ccccc1/N=N/c1ccc(N)nc1N.
What is the InChIKey of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate?
The InChIKey is MOPYDRLMDDUMDA-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-8(19)20-11-5-3-2-4-9(11)17-18-10-6-7-12(14)16-13(10)15/h2-7H,1H3,(H4,14,15,16)/b18-17+.
What are the key properties of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate?
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate has a molecular weight of 271.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate is sourced from PubChem (CID 164909288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).