2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine

C12H7BrFN3 — CID 168284392

IUPAC2-(4-bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine
SMILESC1=CC(=CC=C1C2=NN3C=C(C=CC3=N2)F)Br
InChIInChI=1S/C12H7BrFN3/c13-9-3-1-8(2-4-9)12-15-11-6-5-10(14)7-17(11)16-12/h1-7H
InChIKeyKBXVEWXFYBAEAO-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine

2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168284392) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168284392
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name2-(4-bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine
SMILESC1=CC(=CC=C1C2=NN3C=C(C=CC3=N2)F)Br
InChIInChI=1S/C12H7BrFN3/c13-9-3-1-8(2-4-9)12-15-11-6-5-10(14)7-17(11)16-12/h1-7H
InChIKeyKBXVEWXFYBAEAO-UHFFFAOYSA-N
XLogP3.20
TPSA30.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity270

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
6-Bromo-2-(4-bromophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
CID 1117930
6-Bromo-2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-A]pyridine
CID 71743981
AhR agonist 2
CID 163196386
6-Bromo-2-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168290165
3-Bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3638695
4-[(1E)-{2-[1-(3-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91050334
2-(4-Bromophenyl)-6-chloro-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
CID 30226470
3-Bromo-2-methyl-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 3701383
5-(4-Bromophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1293752
Mls002693968
CID 253289
3-(4-Fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 726694

Frequently Asked Questions

What is the IUPAC name of 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine (CID 168284392) is 2-(4-bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine is C1=CC(=CC=C1C2=NN3C=C(C=CC3=N2)F)Br.
What is the InChIKey of 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KBXVEWXFYBAEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-9-3-1-8(2-4-9)12-15-11-6-5-10(14)7-17(11)16-12/h1-7H.
What are the key properties of 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 292.11 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Bromophenyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168284392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).