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

C15H12FN3O3 — CID 117257664

IUPACmethyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(COc3cccc(F)c3)nn12
InChIInChI=1S/C15H12FN3O3/c1-21-15(20)12-6-3-7-14-17-13(18-19(12)14)9-22-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3
InChIKeyHJGRXKYAMLMXOV-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.23
Rot. Bonds4

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

methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 117257664) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID117257664
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Namemethyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(COc3cccc(F)c3)nn12
InChIInChI=1S/C15H12FN3O3/c1-21-15(20)12-6-3-7-14-17-13(18-19(12)14)9-22-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3
InChIKeyHJGRXKYAMLMXOV-UHFFFAOYSA-N
XLogP2.23
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257662
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567352
methyl 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257641
2-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255822
methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257645
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964
methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255825
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117258032
(1S)-1-[2-ethyl-5-[(3-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]-N-methylethanamine
CID 131946279
2-[3-[(3-fluorophenoxy)methyl]-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,2,4-triazol-1-yl]acetic acid
CID 74235512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 117257664) is methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(COc3cccc(F)c3)nn12.
What is the InChIKey of methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is HJGRXKYAMLMXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-21-15(20)12-6-3-7-14-17-13(18-19(12)14)9-22-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3.
What are the key properties of methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 301.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117257664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).