8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H10ClN3O — CID 117258014

IUPAC8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(COc3ccccc3)nc12
InChIInChI=1S/C13H10ClN3O/c14-11-7-4-8-17-13(11)15-12(16-17)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyPTNBLFYSVJCYOQ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.96
Rot. Bonds3

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

8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117258014) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117258014
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(COc3ccccc3)nc12
InChIInChI=1S/C13H10ClN3O/c14-11-7-4-8-17-13(11)15-12(16-17)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyPTNBLFYSVJCYOQ-UHFFFAOYSA-N
XLogP2.96
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117258032
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258015
2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117257999
methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112
8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine
CID 142607838
methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137330
4-(chloromethyl)-2-(phenoxymethyl)pyrimidine
CID 62746871
6-(phenoxymethyl)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 4694231
1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 83870092

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117258014) is 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccn2nc(COc3ccccc3)nc12.
What is the InChIKey of 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PTNBLFYSVJCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-7-4-8-17-13(11)15-12(16-17)9-18-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 259.70 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117258014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).