4-azido-3-chloropyridine

C5H3ClN4 — CID 80583764

IUPAC4-azido-3-chloropyridine
SMILES[N-]=[N+]=Nc1ccncc1Cl
InChIInChI=1S/C5H3ClN4/c6-4-3-8-2-1-5(4)9-10-7/h1-3H
InChIKeyGZMRPWPIRQYSCH-UHFFFAOYSA-N
MW154.56 g/mol
LogP2.68
Rot. Bonds1

About 4-azido-3-chloropyridine

4-azido-3-chloropyridine (PubChem CID 80583764) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 4-azido-3-chloropyridine.

Molecular Properties

Compound Name4-azido-3-chloropyridine
PubChem CID80583764
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name4-azido-3-chloropyridine
SMILES[N-]=[N+]=Nc1ccncc1Cl
InChIInChI=1S/C5H3ClN4/c6-4-3-8-2-1-5(4)9-10-7/h1-3H
InChIKeyGZMRPWPIRQYSCH-UHFFFAOYSA-N
XLogP2.68
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 4-azido-3-chloropyridine?
The IUPAC name of 4-azido-3-chloropyridine (CID 80583764) is 4-azido-3-chloropyridine.
What is the SMILES notation for 4-azido-3-chloropyridine?
The canonical SMILES for 4-azido-3-chloropyridine is [N-]=[N+]=Nc1ccncc1Cl.
What is the InChIKey of 4-azido-3-chloropyridine?
The InChIKey is GZMRPWPIRQYSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-4-3-8-2-1-5(4)9-10-7/h1-3H.
What are the key properties of 4-azido-3-chloropyridine?
4-azido-3-chloropyridine has a molecular weight of 154.56 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3-chloropyridine is sourced from PubChem (CID 80583764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).