3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C13H7ClFN3O2 — CID 82878738

IUPAC3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3ccc(F)c(Cl)c3)n2c1
InChIInChI=1S/C13H7ClFN3O2/c14-9-5-7(1-3-10(9)15)12-17-16-11-4-2-8(13(19)20)6-18(11)12/h1-6H,(H,19,20)
InChIKeyDTBKKLUWZCVJAR-UHFFFAOYSA-N
MW291.67 g/mol
LogP2.89
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 82878738) has the molecular formula C13H7ClFN3O2 and a molecular weight of 291.67 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID82878738
Molecular FormulaC13H7ClFN3O2
Molecular Weight291.67 g/mol
Exact Mass291.02
IUPAC Name3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3ccc(F)c(Cl)c3)n2c1
InChIInChI=1S/C13H7ClFN3O2/c14-9-5-7(1-3-10(9)15)12-17-16-11-4-2-8(13(19)20)6-18(11)12/h1-6H,(H,19,20)
InChIKeyDTBKKLUWZCVJAR-UHFFFAOYSA-N
XLogP2.89
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 82878738) is 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(-c3ccc(F)c(Cl)c3)n2c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is DTBKKLUWZCVJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O2/c14-9-5-7(1-3-10(9)15)12-17-16-11-4-2-8(13(19)20)6-18(11)12/h1-6H,(H,19,20).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 291.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82878738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).