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

C14H10ClN3O3 — CID 117257671

IUPAC2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(COc3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H10ClN3O3/c15-9-4-6-10(7-5-9)21-8-12-16-13-3-1-2-11(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeyFWBSYXZIAOKKEB-UHFFFAOYSA-N
MW303.71 g/mol
LogP2.66
Rot. Bonds4

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

2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117257671) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117257671
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(COc3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H10ClN3O3/c15-9-4-6-10(7-5-9)21-8-12-16-13-3-1-2-11(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeyFWBSYXZIAOKKEB-UHFFFAOYSA-N
XLogP2.66
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 117257671) is 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(COc3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is FWBSYXZIAOKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-9-4-6-10(7-5-9)21-8-12-16-13-3-1-2-11(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 303.71 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117257671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).