5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H7BrClN3 — CID 117133109

IUPAC5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccccc1-c1nc2cccc(Br)n2n1
InChIInChI=1S/C12H7BrClN3/c13-10-6-3-7-11-15-12(16-17(10)11)8-4-1-2-5-9(8)14/h1-7H
InChIKeyUIJHKIZTYCOISJ-UHFFFAOYSA-N
MW308.57 g/mol
LogP3.81
Rot. Bonds1

About 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine

5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117133109) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117133109
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccccc1-c1nc2cccc(Br)n2n1
InChIInChI=1S/C12H7BrClN3/c13-10-6-3-7-11-15-12(16-17(10)11)8-4-1-2-5-9(8)14/h1-7H
InChIKeyUIJHKIZTYCOISJ-UHFFFAOYSA-N
XLogP3.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117133068
2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158379
5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133090
4-bromo-2-(2-chlorophenyl)pyrimidine
CID 82305706
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117132460
6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 169100695
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
2-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 83868891
4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117132869
2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83844924
5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
CID 166314309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117133109) is 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccccc1-c1nc2cccc(Br)n2n1.
What is the InChIKey of 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UIJHKIZTYCOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-10-6-3-7-11-15-12(16-17(10)11)8-4-1-2-5-9(8)14/h1-7H.
What are the key properties of 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 308.57 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117133109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).