2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine

C7H8BrN5 — CID 155472732

IUPAC2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine
SMILESCN1N=CN(c2ccc(Br)nc2)N1
InChIInChI=1S/C7H8BrN5/c1-12-10-5-13(11-12)6-2-3-7(8)9-4-6/h2-5,11H,1H3
InChIKeyJRELBVKCSNMGDL-UHFFFAOYSA-N
MW242.08 g/mol
LogP0.96
Rot. Bonds1

About 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine

2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine (PubChem CID 155472732) has the molecular formula C7H8BrN5 and a molecular weight of 242.08 g/mol. Its IUPAC name is 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine
PubChem CID155472732
Molecular FormulaC7H8BrN5
Molecular Weight242.08 g/mol
Exact Mass241.00
IUPAC Name2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine
SMILESCN1N=CN(c2ccc(Br)nc2)N1
InChIInChI=1S/C7H8BrN5/c1-12-10-5-13(11-12)6-2-3-7(8)9-4-6/h2-5,11H,1H3
InChIKeyJRELBVKCSNMGDL-UHFFFAOYSA-N
XLogP0.96
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine?
The IUPAC name of 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine (CID 155472732) is 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine.
What is the SMILES notation for 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine?
The canonical SMILES for 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine is CN1N=CN(c2ccc(Br)nc2)N1.
What is the InChIKey of 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine?
The InChIKey is JRELBVKCSNMGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5/c1-12-10-5-13(11-12)6-2-3-7(8)9-4-6/h2-5,11H,1H3.
What are the key properties of 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine?
2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine has a molecular weight of 242.08 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methyl-2H-tetrazol-1-yl)pyridine is sourced from PubChem (CID 155472732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).