3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine

C10H5BrClN3O — CID 117146848

IUPAC3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(-c3ccc(Br)o3)nnc12
InChIInChI=1S/C10H5BrClN3O/c11-8-4-3-7(16-8)10-14-13-9-6(12)2-1-5-15(9)10/h1-5H
InChIKeyOMCIURIPZIRWAH-UHFFFAOYSA-N
MW298.53 g/mol
LogP3.41
Rot. Bonds1

About 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine

3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146848) has the molecular formula C10H5BrClN3O and a molecular weight of 298.53 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146848
Molecular FormulaC10H5BrClN3O
Molecular Weight298.53 g/mol
Exact Mass296.93
IUPAC Name3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(-c3ccc(Br)o3)nnc12
InChIInChI=1S/C10H5BrClN3O/c11-8-4-3-7(16-8)10-14-13-9-6(12)2-1-5-15(9)10/h1-5H
InChIKeyOMCIURIPZIRWAH-UHFFFAOYSA-N
XLogP3.41
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 39781676
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39834346
3-(5-bromofuran-2-yl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole
CID 19724701
8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117147104
3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 15754777
3-(5-bromofuran-2-yl)-5-[(2-chlorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole
CID 19725155
8-chloro-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146489
3-(5-bromofuran-2-yl)-1-chloroimidazo[1,5-a]pyridin-7-amine
CID 117251738
8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146593
8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146433
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine (CID 117146848) is 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccn2c(-c3ccc(Br)o3)nnc12.
What is the InChIKey of 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OMCIURIPZIRWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O/c11-8-4-3-7(16-8)10-14-13-9-6(12)2-1-5-15(9)10/h1-5H.
What are the key properties of 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 298.53 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).