5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine

C11H14N4O — CID 170485359

IUPAC5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(C=CCCN=[N+]=[N-])cc1C
InChIInChI=1S/C11H14N4O/c1-9-7-10(8-13-11(9)16-2)5-3-4-6-14-15-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyFVDIYZWHPBIAIH-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.11
Rot. Bonds5

About 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine

5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine (PubChem CID 170485359) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine
PubChem CID170485359
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(C=CCCN=[N+]=[N-])cc1C
InChIInChI=1S/C11H14N4O/c1-9-7-10(8-13-11(9)16-2)5-3-4-6-14-15-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyFVDIYZWHPBIAIH-UHFFFAOYSA-N
XLogP3.11
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(4-azidobut-1-enyl)-2-chloro-3-fluoropyridine
CID 170485000
2-(4-azidobut-1-enyl)-3,5-dimethylpyridine
CID 170484989
(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 124501175
5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine
CID 170485417
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
1-(4-azidobut-1-enyl)-3-ethoxybenzene
CID 170485187
5-(4-azidobut-1-enyl)-2-(trifluoromethyl)pyrimidine
CID 170485602
3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid
CID 169460544
methyl 5-(4-azidobut-1-enyl)-2-methylbenzoate
CID 170485808
5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170485854
1-(4-azidobut-1-enyl)-3-chloro-5-methylbenzene
CID 170484805
2-(4-azidobut-1-enyl)pyrazine
CID 150773424

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine?
The IUPAC name of 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine (CID 170485359) is 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine is COc1ncc(C=CCCN=[N+]=[N-])cc1C.
What is the InChIKey of 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine?
The InChIKey is FVDIYZWHPBIAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9-7-10(8-13-11(9)16-2)5-3-4-6-14-15-12/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine?
5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine has a molecular weight of 218.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 170485359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).