2-(4-azidobut-1-enyl)-3-chloropyridine

C9H9ClN4 — CID 170484737

IUPAC2-(4-azidobut-1-enyl)-3-chloropyridine
SMILES[N-]=[N+]=NCCC=Cc1ncccc1Cl
InChIInChI=1S/C9H9ClN4/c10-8-4-3-6-12-9(8)5-1-2-7-13-14-11/h1,3-6H,2,7H2
InChIKeySNHXRONVLWPVEQ-UHFFFAOYSA-N
MW208.65 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-azidobut-1-enyl)-3-chloropyridine

2-(4-azidobut-1-enyl)-3-chloropyridine (PubChem CID 170484737) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(4-azidobut-1-enyl)-3-chloropyridine.

Molecular Properties

Compound Name2-(4-azidobut-1-enyl)-3-chloropyridine
PubChem CID170484737
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-(4-azidobut-1-enyl)-3-chloropyridine
SMILES[N-]=[N+]=NCCC=Cc1ncccc1Cl
InChIInChI=1S/C9H9ClN4/c10-8-4-3-6-12-9(8)5-1-2-7-13-14-11/h1,3-6H,2,7H2
InChIKeySNHXRONVLWPVEQ-UHFFFAOYSA-N
XLogP3.45
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 53.45
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-chloropyridine?
The IUPAC name of 2-(4-azidobut-1-enyl)-3-chloropyridine (CID 170484737) is 2-(4-azidobut-1-enyl)-3-chloropyridine.
What is the SMILES notation for 2-(4-azidobut-1-enyl)-3-chloropyridine?
The canonical SMILES for 2-(4-azidobut-1-enyl)-3-chloropyridine is [N-]=[N+]=NCCC=Cc1ncccc1Cl.
What is the InChIKey of 2-(4-azidobut-1-enyl)-3-chloropyridine?
The InChIKey is SNHXRONVLWPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-8-4-3-6-12-9(8)5-1-2-7-13-14-11/h1,3-6H,2,7H2.
What are the key properties of 2-(4-azidobut-1-enyl)-3-chloropyridine?
2-(4-azidobut-1-enyl)-3-chloropyridine has a molecular weight of 208.65 g/mol, XLogP of 3.45, 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-chloropyridine is sourced from PubChem (CID 170484737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).