2-(4-azidobut-1-enyl)-6-methylpyridine

C10H12N4 — CID 170484756

IUPAC2-(4-azidobut-1-enyl)-6-methylpyridine
SMILESCc1cccc(C=CCCN=[N+]=[N-])n1
InChIInChI=1S/C10H12N4/c1-9-5-4-7-10(13-9)6-2-3-8-12-14-11/h2,4-7H,3,8H2,1H3
InChIKeyJKDALDJGJGRWRV-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.10
Rot. Bonds4

About 2-(4-azidobut-1-enyl)-6-methylpyridine

2-(4-azidobut-1-enyl)-6-methylpyridine (PubChem CID 170484756) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(4-azidobut-1-enyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(4-azidobut-1-enyl)-6-methylpyridine
PubChem CID170484756
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(4-azidobut-1-enyl)-6-methylpyridine
SMILESCc1cccc(C=CCCN=[N+]=[N-])n1
InChIInChI=1S/C10H12N4/c1-9-5-4-7-10(13-9)6-2-3-8-12-14-11/h2,4-7H,3,8H2,1H3
InChIKeyJKDALDJGJGRWRV-UHFFFAOYSA-N
XLogP3.10
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.10
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

1-[6-(4-azidobut-1-enyl)-2-pyridinyl]ethanone
CID 170485367
3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
CID 170484988
2-(3-bromoprop-1-enyl)-6-methylpyridine
CID 169475003
2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride
CID 19985812
6-(4-azidobut-1-enyl)-2-methyl-1,3-benzoxazole
CID 170485478
1-[3-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485174
1-(4-azidobut-1-enyl)-3-ethoxybenzene
CID 170485187
9-(4-azidobut-1-enyl)phenanthrene
CID 170486257
2-(4-azidobut-1-enyl)pyrazine
CID 150773424
1-[3-(4-azidobut-1-enyl)phenyl]propan-2-one
CID 170485579
2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 18763193
1-(4-azidobut-1-enyl)-3-(difluoromethyl)benzene
CID 170485096

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidobut-1-enyl)-6-methylpyridine?
The IUPAC name of 2-(4-azidobut-1-enyl)-6-methylpyridine (CID 170484756) is 2-(4-azidobut-1-enyl)-6-methylpyridine.
What is the SMILES notation for 2-(4-azidobut-1-enyl)-6-methylpyridine?
The canonical SMILES for 2-(4-azidobut-1-enyl)-6-methylpyridine is Cc1cccc(C=CCCN=[N+]=[N-])n1.
What is the InChIKey of 2-(4-azidobut-1-enyl)-6-methylpyridine?
The InChIKey is JKDALDJGJGRWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-9-5-4-7-10(13-9)6-2-3-8-12-14-11/h2,4-7H,3,8H2,1H3.
What are the key properties of 2-(4-azidobut-1-enyl)-6-methylpyridine?
2-(4-azidobut-1-enyl)-6-methylpyridine has a molecular weight of 188.23 g/mol, XLogP of 3.10, 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)-6-methylpyridine is sourced from PubChem (CID 170484756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).