2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid

C9H6F3N3O2 — CID 82622592

IUPAC2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2nnc(C(F)(F)F)n2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)8-14-13-6-2-1-5(3-7(16)17)4-15(6)8/h1-2,4H,3H2,(H,16,17)
InChIKeyMNFLCKWXHFPJJV-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.38
Rot. Bonds2

About 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid

2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid (PubChem CID 82622592) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid
PubChem CID82622592
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2nnc(C(F)(F)F)n2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)8-14-13-6-2-1-5(3-7(16)17)4-15(6)8/h1-2,4H,3H2,(H,16,17)
InChIKeyMNFLCKWXHFPJJV-UHFFFAOYSA-N
XLogP1.38
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid (CID 82622592) is 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid is O=C(O)Cc1ccc2nnc(C(F)(F)F)n2c1.
What is the InChIKey of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid?
The InChIKey is MNFLCKWXHFPJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)8-14-13-6-2-1-5(3-7(16)17)4-15(6)8/h1-2,4H,3H2,(H,16,17).
What are the key properties of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid?
2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid has a molecular weight of 245.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid is sourced from PubChem (CID 82622592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).