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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Related Compounds

4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol
CID 170476275
5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine
CID 170485359
4-(3,5-dimethyl-2-pyridinyl)but-3-enal
CID 170481581
2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
CID 170485626
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
1-(4-azidobut-1-enyl)-3-chloro-5-methylbenzene
CID 170484805
2-(4-azidobut-1-enyl)pyrazine
CID 150773424
5-(4-azidobut-1-enyl)-2-chloro-3-fluoropyridine
CID 170485000
5-(4-azidobut-1-enyl)-2-(trifluoromethyl)pyrimidine
CID 170485602
3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
CID 170484988
2-(4-azidobut-1-enyl)-6-methylpyridine
CID 170484756
6-(4-azidobut-1-enyl)-2-methyl-1,3-benzoxazole
CID 170485478

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).