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

C13H9ClFN3O — CID 117258032

IUPAC8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cccc(OCc2nc3c(Cl)cccn3n2)c1
InChIInChI=1S/C13H9ClFN3O/c14-11-5-2-6-18-13(11)16-12(17-18)8-19-10-4-1-3-9(15)7-10/h1-7H,8H2
InChIKeyJRWHGKVEYISCGL-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.10
Rot. Bonds3

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

8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117258032) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117258032
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cccc(OCc2nc3c(Cl)cccn3n2)c1
InChIInChI=1S/C13H9ClFN3O/c14-11-5-2-6-18-13(11)16-12(17-18)8-19-10-4-1-3-9(15)7-10/h1-7H,8H2
InChIKeyJRWHGKVEYISCGL-UHFFFAOYSA-N
XLogP3.10
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258014
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258015
2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257662
2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117257999
methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257664
3-[2-tert-butyl-5-[(3-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]propan-1-amine
CID 131948338
(1S)-1-[2-ethyl-5-[(3-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]-N-methylethanamine
CID 131946279
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258003
4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173296

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117258032) is 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Fc1cccc(OCc2nc3c(Cl)cccn3n2)c1.
What is the InChIKey of 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JRWHGKVEYISCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-11-5-2-6-18-13(11)16-12(17-18)8-19-10-4-1-3-9(15)7-10/h1-7H,8H2.
What are the key properties of 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 277.69 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117258032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).