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

C14H10FN3O3 — CID 117257662

IUPAC2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(COc3cccc(F)c3)nn12
InChIInChI=1S/C14H10FN3O3/c15-9-3-1-4-10(7-9)21-8-12-16-13-6-2-5-11(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeySIOUYCWKYIYGIC-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.15
Rot. Bonds4

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

2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117257662) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117257662
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(COc3cccc(F)c3)nn12
InChIInChI=1S/C14H10FN3O3/c15-9-3-1-4-10(7-9)21-8-12-16-13-6-2-5-11(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeySIOUYCWKYIYGIC-UHFFFAOYSA-N
XLogP2.15
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 117257662) is 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(COc3cccc(F)c3)nn12.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is SIOUYCWKYIYGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-9-3-1-4-10(7-9)21-8-12-16-13-6-2-5-11(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117257662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).