3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C14H11N3O3 — CID 82058940

IUPAC3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(COc3ccccc3)nnc12
InChIInChI=1S/C14H11N3O3/c18-14(19)11-7-4-8-17-12(15-16-13(11)17)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)
InChIKeySFKQPRXTKLVLRO-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.01
Rot. Bonds4

About 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 82058940) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID82058940
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(COc3ccccc3)nnc12
InChIInChI=1S/C14H11N3O3/c18-14(19)11-7-4-8-17-12(15-16-13(11)17)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)
InChIKeySFKQPRXTKLVLRO-UHFFFAOYSA-N
XLogP2.01
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058944
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
methyl 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257476
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255555
3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256906
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256903
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 82058940) is 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(COc3ccccc3)nnc12.
What is the InChIKey of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is SFKQPRXTKLVLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)11-7-4-8-17-12(15-16-13(11)17)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19).
What are the key properties of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82058940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).