5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C14H12ClN3O2 — CID 117257566

IUPAC5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccccc1OCc1nc2cccc(Cl)n2n1
InChIInChI=1S/C14H12ClN3O2/c1-19-10-5-2-3-6-11(10)20-9-13-16-14-8-4-7-12(15)18(14)17-13/h2-8H,9H2,1H3
InChIKeyXCASFALOPVZRMX-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.97
Rot. Bonds4

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

5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117257566) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117257566
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccccc1OCc1nc2cccc(Cl)n2n1
InChIInChI=1S/C14H12ClN3O2/c1-19-10-5-2-3-6-11(10)20-9-13-16-14-8-4-7-12(15)18(14)17-13/h2-8H,9H2,1H3
InChIKeyXCASFALOPVZRMX-UHFFFAOYSA-N
XLogP2.97
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117257564
2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257654
5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132736
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 131932189
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168643
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217
2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117257566) is 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccccc1OCc1nc2cccc(Cl)n2n1.
What is the InChIKey of 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XCASFALOPVZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-19-10-5-2-3-6-11(10)20-9-13-16-14-8-4-7-12(15)18(14)17-13/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 289.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117257566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).