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

C15H10F3N3O3 — CID 66849645

IUPAC2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)24-11-4-1-9(2-5-11)10-3-6-12-19-20-13(7-14(22)23)21(12)8-10/h1-6,8H,7H2,(H,22,23)
InChIKeyWSIZPQAGPISFRB-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.92
Rot. Bonds4

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

2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid (PubChem CID 66849645) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
PubChem CID66849645
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Name2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)24-11-4-1-9(2-5-11)10-3-6-12-19-20-13(7-14(22)23)21(12)8-10/h1-6,8H,7H2,(H,22,23)
InChIKeyWSIZPQAGPISFRB-UHFFFAOYSA-N
XLogP2.92
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 66849944
[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate
CID 123196877
N-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]benzamide
CID 66849289
1,1-difluoro-2-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
CID 50908538
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105448678
ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 134544072
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
1-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethoxy]-2-methylpropan-2-ol;ethyl 2-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethoxy]acetate
CID 157183112
3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849454
6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86650229
3-[difluoro-[[2-(1,2,4-triazol-1-yl)phenyl]methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849852

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid (CID 66849645) is 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid is O=C(O)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The InChIKey is WSIZPQAGPISFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c16-15(17,18)24-11-4-1-9(2-5-11)10-3-6-12-19-20-13(7-14(22)23)21(12)8-10/h1-6,8H,7H2,(H,22,23).
What are the key properties of 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid has a molecular weight of 337.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 66849645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).