3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C14H11N3O3 — CID 62389871

IUPAC3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C(O)c3ccccc3)n2c1
InChIInChI=1S/C14H11N3O3/c18-12(9-4-2-1-3-5-9)13-16-15-11-7-6-10(14(19)20)8-17(11)13/h1-8,12,18H,(H,19,20)
InChIKeyFRVQRSHRZWYRHG-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.51
Rot. Bonds3

About 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 62389871) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID62389871
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C(O)c3ccccc3)n2c1
InChIInChI=1S/C14H11N3O3/c18-12(9-4-2-1-3-5-9)13-16-15-11-7-6-10(14(19)20)8-17(11)13/h1-8,12,18H,(H,19,20)
InChIKeyFRVQRSHRZWYRHG-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 62389871) is 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(C(O)c3ccccc3)n2c1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is FRVQRSHRZWYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-12(9-4-2-1-3-5-9)13-16-15-11-7-6-10(14(19)20)8-17(11)13/h1-8,12,18H,(H,19,20).
What are the key properties of 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 62389871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).