2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine

C12H8ClN5 — CID 58929318

IUPAC2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
SMILESClc1ccc(-n2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C12H8ClN5/c13-9-4-6-10(7-5-9)18-16-12(15-17-18)11-3-1-2-8-14-11/h1-8H
InChIKeyBPCSTACOIRTIAV-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.38
Rot. Bonds2

About 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine

2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine (PubChem CID 58929318) has the molecular formula C12H8ClN5 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
PubChem CID58929318
Molecular FormulaC12H8ClN5
Molecular Weight257.68 g/mol
Exact Mass257.05
IUPAC Name2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
SMILESClc1ccc(-n2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C12H8ClN5/c13-9-4-6-10(7-5-9)18-16-12(15-17-18)11-3-1-2-8-14-11/h1-8H
InChIKeyBPCSTACOIRTIAV-UHFFFAOYSA-N
XLogP2.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine (CID 58929318) is 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine is Clc1ccc(-n2nnc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine?
The InChIKey is BPCSTACOIRTIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5/c13-9-4-6-10(7-5-9)18-16-12(15-17-18)11-3-1-2-8-14-11/h1-8H.
What are the key properties of 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine?
2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine has a molecular weight of 257.68 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 58929318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).