4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine

C19H12BrFN4 — CID 10111273

IUPAC4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
SMILESFc1ccc(-c2nnn(-c3ccc(Br)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H12BrFN4/c20-15-3-7-17(8-4-15)25-19(14-9-11-22-12-10-14)18(23-24-25)13-1-5-16(21)6-2-13/h1-12H
InChIKeyIFKFOFHACNJHOK-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.90
Rot. Bonds3

About 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine

4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine (PubChem CID 10111273) has the molecular formula C19H12BrFN4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
PubChem CID10111273
Molecular FormulaC19H12BrFN4
Molecular Weight395.24 g/mol
Exact Mass394.02
IUPAC Name4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
SMILESFc1ccc(-c2nnn(-c3ccc(Br)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H12BrFN4/c20-15-3-7-17(8-4-15)25-19(14-9-11-22-12-10-14)18(23-24-25)13-1-5-16(21)6-2-13/h1-12H
InChIKeyIFKFOFHACNJHOK-UHFFFAOYSA-N
XLogP4.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine (CID 10111273) is 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine is Fc1ccc(-c2nnn(-c3ccc(Br)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The InChIKey is IFKFOFHACNJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4/c20-15-3-7-17(8-4-15)25-19(14-9-11-22-12-10-14)18(23-24-25)13-1-5-16(21)6-2-13/h1-12H.
What are the key properties of 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine has a molecular weight of 395.24 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 10111273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).