5-bromo-2-(2H-tetrazol-5-yl)pyridine

C6H4BrN5 — CID 23438683

IUPAC5-bromo-2-(2H-tetrazol-5-yl)pyridine
SMILESBrc1ccc(-c2nn[nH]n2)nc1
InChIInChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKeyLBDJSOHAVRCQPD-UHFFFAOYSA-N
MW226.04 g/mol
LogP1.02
Rot. Bonds1

About 5-bromo-2-(2H-tetrazol-5-yl)pyridine

5-bromo-2-(2H-tetrazol-5-yl)pyridine (PubChem CID 23438683) has the molecular formula C6H4BrN5 and a molecular weight of 226.04 g/mol. Its IUPAC name is 5-bromo-2-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2H-tetrazol-5-yl)pyridine
PubChem CID23438683
Molecular FormulaC6H4BrN5
Molecular Weight226.04 g/mol
Exact Mass224.97
IUPAC Name5-bromo-2-(2H-tetrazol-5-yl)pyridine
SMILESBrc1ccc(-c2nn[nH]n2)nc1
InChIInChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKeyLBDJSOHAVRCQPD-UHFFFAOYSA-N
XLogP1.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 5-bromo-2-(2H-tetrazol-5-yl)pyridine (CID 23438683) is 5-bromo-2-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 5-bromo-2-(2H-tetrazol-5-yl)pyridine is Brc1ccc(-c2nn[nH]n2)nc1.
What is the InChIKey of 5-bromo-2-(2H-tetrazol-5-yl)pyridine?
The InChIKey is LBDJSOHAVRCQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12).
What are the key properties of 5-bromo-2-(2H-tetrazol-5-yl)pyridine?
5-bromo-2-(2H-tetrazol-5-yl)pyridine has a molecular weight of 226.04 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 23438683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).