2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid

C9H8F3N3O3 — CID 71187012

IUPAC2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCNC2=O
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)7-6-4(1-2-13-8(6)18)15(14-7)3-5(16)17/h1-3H2,(H,13,18)(H,16,17)
InChIKeyHZFZPQSJAXFDOE-UHFFFAOYSA-N
MW263.17 g/mol
LogP0.27
Rot. Bonds2

About 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid

2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid (PubChem CID 71187012) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid
PubChem CID71187012
Molecular FormulaC9H8F3N3O3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCNC2=O
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)7-6-4(1-2-13-8(6)18)15(14-7)3-5(16)17/h1-3H2,(H,13,18)(H,16,17)
InChIKeyHZFZPQSJAXFDOE-UHFFFAOYSA-N
XLogP0.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid (CID 71187012) is 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid is O=C(O)Cn1nc(C(F)(F)F)c2c1CCNC2=O.
What is the InChIKey of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
The InChIKey is HZFZPQSJAXFDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c10-9(11,12)7-6-4(1-2-13-8(6)18)15(14-7)3-5(16)17/h1-3H2,(H,13,18)(H,16,17).
What are the key properties of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid?
2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid has a molecular weight of 263.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid is sourced from PubChem (CID 71187012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).