[3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate

C10H6F3N3O3 — CID 162492613

IUPAC[3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncc(-c2cn[nH]c2)cc1O)C(F)(F)F
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)9(18)19-8-7(17)1-5(2-14-8)6-3-15-16-4-6/h1-4,17H,(H,15,16)
InChIKeyGXTIGZZLAHERNY-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.64
Rot. Bonds2

About [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate

[3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 162492613) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID162492613
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name[3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncc(-c2cn[nH]c2)cc1O)C(F)(F)F
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)9(18)19-8-7(17)1-5(2-14-8)6-3-15-16-4-6/h1-4,17H,(H,15,16)
InChIKeyGXTIGZZLAHERNY-UHFFFAOYSA-N
XLogP1.64
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate (CID 162492613) is [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate is O=C(Oc1ncc(-c2cn[nH]c2)cc1O)C(F)(F)F.
What is the InChIKey of [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is GXTIGZZLAHERNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)9(18)19-8-7(17)1-5(2-14-8)6-3-15-16-4-6/h1-4,17H,(H,15,16).
What are the key properties of [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate?
[3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 273.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-5-(1H-pyrazol-4-yl)-2-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 162492613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).