5-chloro-2-(tetrazol-1-yl)pyridine

C6H4ClN5 — CID 102567268

IUPAC5-chloro-2-(tetrazol-1-yl)pyridine
SMILESClc1ccc(-n2cnnn2)nc1
InChIInChI=1S/C6H4ClN5/c7-5-1-2-6(8-3-5)12-4-9-10-11-12/h1-4H
InChIKeyKRJWDMTUKHXWOC-UHFFFAOYSA-N
MW181.59 g/mol
LogP0.71
Rot. Bonds1

About 5-chloro-2-(tetrazol-1-yl)pyridine

5-chloro-2-(tetrazol-1-yl)pyridine (PubChem CID 102567268) has the molecular formula C6H4ClN5 and a molecular weight of 181.59 g/mol. Its IUPAC name is 5-chloro-2-(tetrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(tetrazol-1-yl)pyridine
PubChem CID102567268
Molecular FormulaC6H4ClN5
Molecular Weight181.59 g/mol
Exact Mass181.02
IUPAC Name5-chloro-2-(tetrazol-1-yl)pyridine
SMILESClc1ccc(-n2cnnn2)nc1
InChIInChI=1S/C6H4ClN5/c7-5-1-2-6(8-3-5)12-4-9-10-11-12/h1-4H
InChIKeyKRJWDMTUKHXWOC-UHFFFAOYSA-N
XLogP0.71
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.59
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(tetrazol-1-yl)pyridine?
The IUPAC name of 5-chloro-2-(tetrazol-1-yl)pyridine (CID 102567268) is 5-chloro-2-(tetrazol-1-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(tetrazol-1-yl)pyridine?
The canonical SMILES for 5-chloro-2-(tetrazol-1-yl)pyridine is Clc1ccc(-n2cnnn2)nc1.
What is the InChIKey of 5-chloro-2-(tetrazol-1-yl)pyridine?
The InChIKey is KRJWDMTUKHXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN5/c7-5-1-2-6(8-3-5)12-4-9-10-11-12/h1-4H.
What are the key properties of 5-chloro-2-(tetrazol-1-yl)pyridine?
5-chloro-2-(tetrazol-1-yl)pyridine has a molecular weight of 181.59 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(tetrazol-1-yl)pyridine is sourced from PubChem (CID 102567268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).