3-bromo-5-(triazol-1-yl)pyridine

C7H5BrN4 — CID 84689554

IUPAC3-bromo-5-(triazol-1-yl)pyridine
SMILESBrc1cncc(-n2ccnn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-3-7(5-9-4-6)12-2-1-10-11-12/h1-5H
InChIKeyXCOOCPCBUZXZJH-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

About 3-bromo-5-(triazol-1-yl)pyridine

3-bromo-5-(triazol-1-yl)pyridine (PubChem CID 84689554) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 3-bromo-5-(triazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(triazol-1-yl)pyridine
PubChem CID84689554
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name3-bromo-5-(triazol-1-yl)pyridine
SMILESBrc1cncc(-n2ccnn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-3-7(5-9-4-6)12-2-1-10-11-12/h1-5H
InChIKeyXCOOCPCBUZXZJH-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(triazol-1-yl)pyridine
CID 164853015
3-bromo-5-pyrazol-1-ylpyridine
CID 66521212
2-bromo-5-(triazol-1-yl)pyridine
CID 84689550
3-bromo-5-(4-methylpyrazol-1-yl)pyridine
CID 66521251
4-bromo-2-(triazol-1-yl)pyridine
CID 84689537
2,6-dimethyl-4-(triazol-1-yl)pyridine
CID 89493479
5-bromo-3-nitro-2-(triazol-1-yl)pyridine
CID 133061285
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 112690429
3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
CID 130486985
2-(5-bromo-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 177237730
3,5-di(pyrazol-1-yl)pyridine
CID 58965564
3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
CID 167770873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(triazol-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(triazol-1-yl)pyridine (CID 84689554) is 3-bromo-5-(triazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(triazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(triazol-1-yl)pyridine is Brc1cncc(-n2ccnn2)c1.
What is the InChIKey of 3-bromo-5-(triazol-1-yl)pyridine?
The InChIKey is XCOOCPCBUZXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-6-3-7(5-9-4-6)12-2-1-10-11-12/h1-5H.
What are the key properties of 3-bromo-5-(triazol-1-yl)pyridine?
3-bromo-5-(triazol-1-yl)pyridine has a molecular weight of 225.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(triazol-1-yl)pyridine is sourced from PubChem (CID 84689554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).