2-(4-azidobut-1-enyl)-3,5-dimethylpyridine

C11H14N4 — CID 170484989

IUPAC2-(4-azidobut-1-enyl)-3,5-dimethylpyridine
SMILESCc1cnc(C=CCCN=[N+]=[N-])c(C)c1
InChIInChI=1S/C11H14N4/c1-9-7-10(2)11(13-8-9)5-3-4-6-14-15-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyWOIBFSRIADCSQZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine

2-(4-azidobut-1-enyl)-3,5-dimethylpyridine (PubChem CID 170484989) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-(4-azidobut-1-enyl)-3,5-dimethylpyridine
PubChem CID170484989
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(4-azidobut-1-enyl)-3,5-dimethylpyridine
SMILESCc1cnc(C=CCCN=[N+]=[N-])c(C)c1
InChIInChI=1S/C11H14N4/c1-9-7-10(2)11(13-8-9)5-3-4-6-14-15-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyWOIBFSRIADCSQZ-UHFFFAOYSA-N
XLogP3.41
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine?
The IUPAC name of 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine (CID 170484989) is 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine.
What is the SMILES notation for 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine?
The canonical SMILES for 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine is Cc1cnc(C=CCCN=[N+]=[N-])c(C)c1.
What is the InChIKey of 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine?
The InChIKey is WOIBFSRIADCSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-7-10(2)11(13-8-9)5-3-4-6-14-15-12/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine?
2-(4-azidobut-1-enyl)-3,5-dimethylpyridine has a molecular weight of 202.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidobut-1-enyl)-3,5-dimethylpyridine is sourced from PubChem (CID 170484989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).