pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid

C16H10F3N3O2 — CID 175723904

IUPACpyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid
SMILESN#Cc1cnn2ccccc12.O=C(O)Cc1ccc(F)c(F)c1F
InChIInChI=1S/C8H5F3O2.C8H5N3/c9-5-2-1-4(3-6(12)13)7(10)8(5)11;9-5-7-6-10-11-4-2-1-3-8(7)11/h1-2H,3H2,(H,12,13);1-4,6H
InChIKeyYRFRNOBJJCUJSP-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.94
Rot. Bonds2

About pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid

pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid (PubChem CID 175723904) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid
PubChem CID175723904
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Namepyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid
SMILESN#Cc1cnn2ccccc12.O=C(O)Cc1ccc(F)c(F)c1F
InChIInChI=1S/C8H5F3O2.C8H5N3/c9-5-2-1-4(3-6(12)13)7(10)8(5)11;9-5-7-6-10-11-4-2-1-3-8(7)11/h1-2H,3H2,(H,12,13);1-4,6H
InChIKeyYRFRNOBJJCUJSP-UHFFFAOYSA-N
XLogP2.94
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid?
The IUPAC name of pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid (CID 175723904) is pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid.
What is the SMILES notation for pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid?
The canonical SMILES for pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid is N#Cc1cnn2ccccc12.O=C(O)Cc1ccc(F)c(F)c1F.
What is the InChIKey of pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid?
The InChIKey is YRFRNOBJJCUJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2.C8H5N3/c9-5-2-1-4(3-6(12)13)7(10)8(5)11;9-5-7-6-10-11-4-2-1-3-8(7)11/h1-2H,3H2,(H,12,13);1-4,6H.
What are the key properties of pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid?
pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid has a molecular weight of 333.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyridine-3-carbonitrile;2-(2,3,4-trifluorophenyl)acetic acid is sourced from PubChem (CID 175723904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).