2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C14H10FN3O2 — CID 82566740

IUPAC2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(Cc3ccccc3F)nc12
InChIInChI=1S/C14H10FN3O2/c15-11-6-2-1-4-9(11)8-12-16-13-10(14(19)20)5-3-7-18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeyXQUBMKIKBSJOBW-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.16
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82566740) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82566740
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(Cc3ccccc3F)nc12
InChIInChI=1S/C14H10FN3O2/c15-11-6-2-1-4-9(11)8-12-16-13-10(14(19)20)5-3-7-18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeyXQUBMKIKBSJOBW-UHFFFAOYSA-N
XLogP2.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82566740) is 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2nc(Cc3ccccc3F)nc12.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is XQUBMKIKBSJOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-6-2-1-4-9(11)8-12-16-13-10(14(19)20)5-3-7-18(13)17-12/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82566740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).