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

C14H11N3O3 — CID 117142781

IUPAC3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nnc(Cc3ccccc3O)n12
InChIInChI=1S/C14H11N3O3/c18-11-6-2-1-4-9(11)8-13-16-15-12-7-3-5-10(14(19)20)17(12)13/h1-7,18H,8H2,(H,19,20)
InChIKeyOLPMIKAVXIRBGW-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.72
Rot. Bonds3

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

3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (PubChem CID 117142781) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
PubChem CID117142781
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nnc(Cc3ccccc3O)n12
InChIInChI=1S/C14H11N3O3/c18-11-6-2-1-4-9(11)8-13-16-15-12-7-3-5-10(14(19)20)17(12)13/h1-7,18H,8H2,(H,19,20)
InChIKeyOLPMIKAVXIRBGW-UHFFFAOYSA-N
XLogP1.72
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (CID 117142781) is 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nnc(Cc3ccccc3O)n12.
What is the InChIKey of 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The InChIKey is OLPMIKAVXIRBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-11-6-2-1-4-9(11)8-13-16-15-12-7-3-5-10(14(19)20)17(12)13/h1-7,18H,8H2,(H,19,20).
What are the key properties of 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).