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

C12H11N5O2 — CID 164908675

IUPAC[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate
SMILESNc1ccc(/N=N/c2ccccc2OC=O)c(N)n1
InChIInChI=1S/C12H11N5O2/c13-11-6-5-9(12(14)15-11)17-16-8-3-1-2-4-10(8)19-7-18/h1-7H,(H4,13,14,15)/b17-16+
InChIKeyLTFCHLGQQOHZQU-WUKNDPDISA-N
MW257.25 g/mol
LogP2.20
Rot. Bonds4

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

[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate (PubChem CID 164908675) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate.

Molecular Properties

Compound Name[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate
PubChem CID164908675
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate
SMILESNc1ccc(/N=N/c2ccccc2OC=O)c(N)n1
InChIInChI=1S/C12H11N5O2/c13-11-6-5-9(12(14)15-11)17-16-8-3-1-2-4-10(8)19-7-18/h1-7H,(H4,13,14,15)/b17-16+
InChIKeyLTFCHLGQQOHZQU-WUKNDPDISA-N
XLogP2.20
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate
CID 164909288
(2R)-2-[[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenoxy]carbonylamino]-3-methylbutanoic acid
CID 164909088
3-phenyldiazenylpyridine-2,6-diamine;hydrate
CID 139146043
[2-[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenoxy]-2-oxoethyl] 2,2-dimethylpropanoate
CID 164909063
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 2-methylbutanoate;N-methylmethanamine
CID 164908820
[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
phenyl 3-[(2,6-diamino-3-pyridinyl)diazenyl]propanoate
CID 175516329
1-chlorohexadecane;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87072530

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate?
The IUPAC name of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate (CID 164908675) is [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate.
What is the SMILES notation for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate?
The canonical SMILES for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate is Nc1ccc(/N=N/c2ccccc2OC=O)c(N)n1.
What is the InChIKey of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate?
The InChIKey is LTFCHLGQQOHZQU-WUKNDPDISA-N. The full InChI is InChI=1S/C12H11N5O2/c13-11-6-5-9(12(14)15-11)17-16-8-3-1-2-4-10(8)19-7-18/h1-7H,(H4,13,14,15)/b17-16+.
What are the key properties of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate?
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate has a molecular weight of 257.25 g/mol, XLogP of 2.20, 4 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] formate is sourced from PubChem (CID 164908675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).