7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H9BrClN3O — CID 84611753

IUPAC7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(OCc2nnc3cc(Br)ccn23)cc1
InChIInChI=1S/C13H9BrClN3O/c14-9-5-6-18-12(7-9)16-17-13(18)8-19-11-3-1-10(15)2-4-11/h1-7H,8H2
InChIKeyAQHJYVPWEPCENN-UHFFFAOYSA-N
MW338.59 g/mol
LogP3.72
Rot. Bonds3

About 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 84611753) has the molecular formula C13H9BrClN3O and a molecular weight of 338.59 g/mol. Its IUPAC name is 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID84611753
Molecular FormulaC13H9BrClN3O
Molecular Weight338.59 g/mol
Exact Mass336.96
IUPAC Name7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(OCc2nnc3cc(Br)ccn23)cc1
InChIInChI=1S/C13H9BrClN3O/c14-9-5-6-18-12(7-9)16-17-13(18)8-19-11-3-1-10(15)2-4-11/h1-7H,8H2
InChIKeyAQHJYVPWEPCENN-UHFFFAOYSA-N
XLogP3.72
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257347
2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83867856
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392786
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117257021
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
CID 117257025
7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257259
7-chloro-3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256539
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257338
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 84611753) is 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(OCc2nnc3cc(Br)ccn23)cc1.
What is the InChIKey of 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AQHJYVPWEPCENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O/c14-9-5-6-18-12(7-9)16-17-13(18)8-19-11-3-1-10(15)2-4-11/h1-7H,8H2.
What are the key properties of 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 338.59 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 84611753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).