5-chlorotetrazolo[1,5-a]pyridine

C5H3ClN4 — CID 47003286

IUPAC5-chlorotetrazolo[1,5-a]pyridine
SMILESClc1cccc2nnnn12
InChIInChI=1S/C5H3ClN4/c6-4-2-1-3-5-7-8-9-10(4)5/h1-3H
InChIKeyCFGUHISEVBSRKR-UHFFFAOYSA-N
MW154.56 g/mol
LogP0.78
Rot. Bonds

About 5-chlorotetrazolo[1,5-a]pyridine

5-chlorotetrazolo[1,5-a]pyridine (PubChem CID 47003286) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 5-chlorotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chlorotetrazolo[1,5-a]pyridine
PubChem CID47003286
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name5-chlorotetrazolo[1,5-a]pyridine
SMILESClc1cccc2nnnn12
InChIInChI=1S/C5H3ClN4/c6-4-2-1-3-5-7-8-9-10(4)5/h1-3H
InChIKeyCFGUHISEVBSRKR-UHFFFAOYSA-N
XLogP0.78
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chlorotetrazolo[1,5-a]pyridine?
The IUPAC name of 5-chlorotetrazolo[1,5-a]pyridine (CID 47003286) is 5-chlorotetrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chlorotetrazolo[1,5-a]pyridine?
The canonical SMILES for 5-chlorotetrazolo[1,5-a]pyridine is Clc1cccc2nnnn12.
What is the InChIKey of 5-chlorotetrazolo[1,5-a]pyridine?
The InChIKey is CFGUHISEVBSRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-4-2-1-3-5-7-8-9-10(4)5/h1-3H.
What are the key properties of 5-chlorotetrazolo[1,5-a]pyridine?
5-chlorotetrazolo[1,5-a]pyridine has a molecular weight of 154.56 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 47003286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).