3-(4-azidobut-1-enyl)-2,6-dimethylpyridine

C11H14N4 — CID 170484988

IUPAC3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
SMILESCc1ccc(C=CCCN=[N+]=[N-])c(C)n1
InChIInChI=1S/C11H14N4/c1-9-6-7-11(10(2)14-9)5-3-4-8-13-15-12/h3,5-7H,4,8H2,1-2H3
InChIKeyCXJQJEFBWDXCHJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.41
Rot. Bonds4

About 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine

3-(4-azidobut-1-enyl)-2,6-dimethylpyridine (PubChem CID 170484988) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
PubChem CID170484988
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
SMILESCc1ccc(C=CCCN=[N+]=[N-])c(C)n1
InChIInChI=1S/C11H14N4/c1-9-6-7-11(10(2)14-9)5-3-4-8-13-15-12/h3,5-7H,4,8H2,1-2H3
InChIKeyCXJQJEFBWDXCHJ-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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Related Compounds

2-(4-azidobut-1-enyl)-6-methylpyridine
CID 170484756
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
6-(4-azidobut-1-enyl)-2-methyl-1,3-benzoxazole
CID 170485478
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
3-(3-azidoprop-1-enyl)-6-methoxy-2-methylpyridine
CID 169461835
1-(4-azidobut-1-enyl)-4-chloro-2-methoxybenzene
CID 170485144
2-(4-azidobut-1-enyl)-5-methoxyphenol
CID 170485115
3-(4-azidobut-1-enyl)-4-chloropyridine
CID 170484741
9-(4-azidobut-1-enyl)phenanthrene
CID 170486257
1-azido-2-[(E)-4-azidobut-1-enyl]benzene
CID 165349366
1-[6-(4-azidobut-1-enyl)-2-pyridinyl]ethanone
CID 170485367
3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869

Frequently Asked Questions

What is the IUPAC name of 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine?
The IUPAC name of 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine (CID 170484988) is 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine.
What is the SMILES notation for 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine?
The canonical SMILES for 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine is Cc1ccc(C=CCCN=[N+]=[N-])c(C)n1.
What is the InChIKey of 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine?
The InChIKey is CXJQJEFBWDXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-6-7-11(10(2)14-9)5-3-4-8-13-15-12/h3,5-7H,4,8H2,1-2H3.
What are the key properties of 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine?
3-(4-azidobut-1-enyl)-2,6-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 3-(4-azidobut-1-enyl)-2,6-dimethylpyridine is sourced from PubChem (CID 170484988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).