3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine

C12H7BrFN3 — CID 67083662

IUPAC3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(-c2ccc3nnc(Br)n3c2)c1
InChIInChI=1S/C12H7BrFN3/c13-12-16-15-11-5-4-9(7-17(11)12)8-2-1-3-10(14)6-8/h1-7H
InChIKeyRKLAPPBBXFIBQI-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.30
Rot. Bonds1

About 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 67083662) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID67083662
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(-c2ccc3nnc(Br)n3c2)c1
InChIInChI=1S/C12H7BrFN3/c13-12-16-15-11-5-4-9(7-17(11)12)8-2-1-3-10(14)6-8/h1-7H
InChIKeyRKLAPPBBXFIBQI-UHFFFAOYSA-N
XLogP3.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139789
3-bromo-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 67446300
6-bromo-3-(3-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835239
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
3-bromo-7-(3-fluorophenyl)imidazo[1,2-b]pyridazine
CID 66812841
6-fluoro-3-(3-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835263
3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67524771
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689
6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130734

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 67083662) is 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is Fc1cccc(-c2ccc3nnc(Br)n3c2)c1.
What is the InChIKey of 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RKLAPPBBXFIBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-12-16-15-11-5-4-9(7-17(11)12)8-2-1-3-10(14)6-8/h1-7H.
What are the key properties of 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 292.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 67083662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).