2-bromo-6-(1-ethyltriazol-4-yl)pyridine

C9H9BrN4 — CID 118348737

IUPAC2-bromo-6-(1-ethyltriazol-4-yl)pyridine
SMILESCCn1cc(-c2cccc(Br)n2)nn1
InChIInChI=1S/C9H9BrN4/c1-2-14-6-8(12-13-14)7-4-3-5-9(10)11-7/h3-6H,2H2,1H3
InChIKeyIDOQKVRAIFOUPX-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.12
Rot. Bonds2

About 2-bromo-6-(1-ethyltriazol-4-yl)pyridine

2-bromo-6-(1-ethyltriazol-4-yl)pyridine (PubChem CID 118348737) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-bromo-6-(1-ethyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(1-ethyltriazol-4-yl)pyridine
PubChem CID118348737
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name2-bromo-6-(1-ethyltriazol-4-yl)pyridine
SMILESCCn1cc(-c2cccc(Br)n2)nn1
InChIInChI=1S/C9H9BrN4/c1-2-14-6-8(12-13-14)7-4-3-5-9(10)11-7/h3-6H,2H2,1H3
InChIKeyIDOQKVRAIFOUPX-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.12
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 2-bromo-6-(1-ethyltriazol-4-yl)pyridine?
The IUPAC name of 2-bromo-6-(1-ethyltriazol-4-yl)pyridine (CID 118348737) is 2-bromo-6-(1-ethyltriazol-4-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(1-ethyltriazol-4-yl)pyridine?
The canonical SMILES for 2-bromo-6-(1-ethyltriazol-4-yl)pyridine is CCn1cc(-c2cccc(Br)n2)nn1.
What is the InChIKey of 2-bromo-6-(1-ethyltriazol-4-yl)pyridine?
The InChIKey is IDOQKVRAIFOUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-2-14-6-8(12-13-14)7-4-3-5-9(10)11-7/h3-6H,2H2,1H3.
What are the key properties of 2-bromo-6-(1-ethyltriazol-4-yl)pyridine?
2-bromo-6-(1-ethyltriazol-4-yl)pyridine has a molecular weight of 253.10 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-ethyltriazol-4-yl)pyridine is sourced from PubChem (CID 118348737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).