2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride

C15H17ClN4O2 — CID 10313962

IUPAC2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride
SMILESCOc1ccc(OC(C)C)c(Nc2ncccc2[N+]#N)c1.[Cl-]
InChIInChI=1S/C15H17N4O2.ClH/c1-10(2)21-14-7-6-11(20-3)9-13(14)18-15-12(19-16)5-4-8-17-15;/h4-10H,1-3H3,(H,17,18);1H/q+1;/p-1
InChIKeyVZTDIKQYTBIXNO-UHFFFAOYSA-M
MW320.78 g/mol
LogP1.11
Rot. Bonds5

About 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride

2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride (PubChem CID 10313962) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride.

Molecular Properties

Compound Name2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride
PubChem CID10313962
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride
SMILESCOc1ccc(OC(C)C)c(Nc2ncccc2[N+]#N)c1.[Cl-]
InChIInChI=1S/C15H17N4O2.ClH/c1-10(2)21-14-7-6-11(20-3)9-13(14)18-15-12(19-16)5-4-8-17-15;/h4-10H,1-3H3,(H,17,18);1H/q+1;/p-1
InChIKeyVZTDIKQYTBIXNO-UHFFFAOYSA-M
XLogP1.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
CID 24691895
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759
3-(5-methoxy-2-propan-2-yloxyphenyl)triazolo[4,5-b]pyridine
CID 10334065
5-N-(2,5-dimethoxyphenyl)-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967814
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
3-(aminomethyl)-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 82085145
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
2-N-(2,5-dimethoxyphenyl)pyrazine-2,5-diamine
CID 80653257

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride?
The IUPAC name of 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride (CID 10313962) is 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride.
What is the SMILES notation for 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride?
The canonical SMILES for 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride is COc1ccc(OC(C)C)c(Nc2ncccc2[N+]#N)c1.[Cl-].
What is the InChIKey of 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride?
The InChIKey is VZTDIKQYTBIXNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17N4O2.ClH/c1-10(2)21-14-7-6-11(20-3)9-13(14)18-15-12(19-16)5-4-8-17-15;/h4-10H,1-3H3,(H,17,18);1H/q+1;/p-1.
What are the key properties of 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride?
2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride has a molecular weight of 320.78 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride is sourced from PubChem (CID 10313962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).