methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

C15H13N3O4 — CID 117257343

IUPACmethyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(COc3cccc(O)c3)nnc2c1
InChIInChI=1S/C15H13N3O4/c1-21-15(20)10-5-6-18-13(7-10)16-17-14(18)9-22-12-4-2-3-11(19)8-12/h2-8,19H,9H2,1H3
InChIKeyXROUNLDPMOVYJC-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.80
Rot. Bonds4

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

methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (PubChem CID 117257343) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
PubChem CID117257343
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Namemethyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(COc3cccc(O)c3)nnc2c1
InChIInChI=1S/C15H13N3O4/c1-21-15(20)10-5-6-18-13(7-10)16-17-14(18)9-22-12-4-2-3-11(19)8-12/h2-8,19H,9H2,1H3
InChIKeyXROUNLDPMOVYJC-UHFFFAOYSA-N
XLogP1.80
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (CID 117257343) is methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(COc3cccc(O)c3)nnc2c1.
What is the InChIKey of methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The InChIKey is XROUNLDPMOVYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-21-15(20)10-5-6-18-13(7-10)16-17-14(18)9-22-12-4-2-3-11(19)8-12/h2-8,19H,9H2,1H3.
What are the key properties of methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is sourced from PubChem (CID 117257343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).