6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C12H9BrFN3 — CID 164625929

IUPAC6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(C2N=NC3=CC=C(Br)CN32)c1
InChIInChI=1S/C12H9BrFN3/c13-9-4-5-11-15-16-12(17(11)7-9)8-2-1-3-10(14)6-8/h1-6,12H,7H2
InChIKeyNFUFJWPMANMIAI-UHFFFAOYSA-N
MW294.13 g/mol
LogP3.73
Rot. Bonds1

About 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 164625929) has the molecular formula C12H9BrFN3 and a molecular weight of 294.13 g/mol. Its IUPAC name is 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID164625929
Molecular FormulaC12H9BrFN3
Molecular Weight294.13 g/mol
Exact Mass293.00
IUPAC Name6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(C2N=NC3=CC=C(Br)CN32)c1
InChIInChI=1S/C12H9BrFN3/c13-9-4-5-11-15-16-12(17(11)7-9)8-2-1-3-10(14)6-8/h1-6,12H,7H2
InChIKeyNFUFJWPMANMIAI-UHFFFAOYSA-N
XLogP3.73
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 164625929) is 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine is Fc1cccc(C2N=NC3=CC=C(Br)CN32)c1.
What is the InChIKey of 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NFUFJWPMANMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3/c13-9-4-5-11-15-16-12(17(11)7-9)8-2-1-3-10(14)6-8/h1-6,12H,7H2.
What are the key properties of 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 294.13 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-fluorophenyl)-3,5-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 164625929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).