3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

C10H6BrN3O2 — CID 117144392

IUPAC3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(-c3ccc(Br)o3)n[nH]c2c1
InChIInChI=1S/C10H6BrN3O2/c11-8-2-1-7(16-8)10-13-12-9-5-6(15)3-4-14(9)10/h1-5,12H
InChIKeyJSMFZWATAWMJJW-UHFFFAOYSA-N
MW280.08 g/mol
LogP2.05
Rot. Bonds1

About 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one

3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (PubChem CID 117144392) has the molecular formula C10H6BrN3O2 and a molecular weight of 280.08 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
PubChem CID117144392
Molecular FormulaC10H6BrN3O2
Molecular Weight280.08 g/mol
Exact Mass278.96
IUPAC Name3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
SMILESO=c1ccn2c(-c3ccc(Br)o3)n[nH]c2c1
InChIInChI=1S/C10H6BrN3O2/c11-8-2-1-7(16-8)10-13-12-9-5-6(15)3-4-14(9)10/h1-5,12H
InChIKeyJSMFZWATAWMJJW-UHFFFAOYSA-N
XLogP2.05
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromofuran-2-yl)-1-chloroimidazo[1,5-a]pyridin-7-amine
CID 117251738
3-[(2-hydroxyphenyl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
CID 117144550
3-(5-bromofuran-2-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 843824
5-(5-bromofuran-2-yl)-1H-pyrazol-3-amine
CID 24702930
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127210
5-[5-(5-bromofuran-2-yl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 43826436
2-(5-bromofuran-2-yl)-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 104654247
2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 63611922
3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 117146848
4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
CID 71924986
7-[[5-(5-bromofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 19724813
4-bromo-6-(5-bromofuran-2-yl)pyrimidine
CID 121205669

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The IUPAC name of 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one (CID 117144392) is 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is O=c1ccn2c(-c3ccc(Br)o3)n[nH]c2c1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
The InChIKey is JSMFZWATAWMJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O2/c11-8-2-1-7(16-8)10-13-12-9-5-6(15)3-4-14(9)10/h1-5,12H.
What are the key properties of 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one?
3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one has a molecular weight of 280.08 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one is sourced from PubChem (CID 117144392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).