3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine

C19H12BrFN4 — CID 15957293

IUPAC3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESFc1cc(-c2n[nH]c(-c3ncccc3Br)n2)ccc1-c1ccccc1
InChIInChI=1S/C19H12BrFN4/c20-15-7-4-10-22-17(15)19-23-18(24-25-19)13-8-9-14(16(21)11-13)12-5-2-1-3-6-12/h1-11H,(H,23,24,25)
InChIKeyKYTUSQYTILSUHT-UHFFFAOYSA-N
MW395.24 g/mol
LogP5.10
Rot. Bonds3

About 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine

3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 15957293) has the molecular formula C19H12BrFN4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine
PubChem CID15957293
Molecular FormulaC19H12BrFN4
Molecular Weight395.24 g/mol
Exact Mass394.02
IUPAC Name3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESFc1cc(-c2n[nH]c(-c3ncccc3Br)n2)ccc1-c1ccccc1
InChIInChI=1S/C19H12BrFN4/c20-15-7-4-10-22-17(15)19-23-18(24-25-19)13-8-9-14(16(21)11-13)12-5-2-1-3-6-12/h1-11H,(H,23,24,25)
InChIKeyKYTUSQYTILSUHT-UHFFFAOYSA-N
XLogP5.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.24
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]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 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The IUPAC name of 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine (CID 15957293) is 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine.
What is the SMILES notation for 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The canonical SMILES for 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine is Fc1cc(-c2n[nH]c(-c3ncccc3Br)n2)ccc1-c1ccccc1.
What is the InChIKey of 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The InChIKey is KYTUSQYTILSUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4/c20-15-7-4-10-22-17(15)19-23-18(24-25-19)13-8-9-14(16(21)11-13)12-5-2-1-3-6-12/h1-11H,(H,23,24,25).
What are the key properties of 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 395.24 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 15957293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).