4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid

C9H10F3N3O3 — CID 162316683

IUPAC4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=Cc1n[nH]c2c1CCNC2
InChIInChI=1S/C7H9N3O.C2HF3O2/c11-4-7-5-1-2-8-3-6(5)9-10-7;3-2(4,5)1(6)7/h4,8H,1-3H2,(H,9,10);(H,6,7)
InChIKeyQKUYORDGUBVWKO-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.50
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid

4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 162316683) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid
PubChem CID162316683
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=Cc1n[nH]c2c1CCNC2
InChIInChI=1S/C7H9N3O.C2HF3O2/c11-4-7-5-1-2-8-3-6(5)9-10-7;3-2(4,5)1(6)7/h4,8H,1-3H2,(H,9,10);(H,6,7)
InChIKeyQKUYORDGUBVWKO-UHFFFAOYSA-N
XLogP0.50
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid (CID 162316683) is 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=Cc1n[nH]c2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is QKUYORDGUBVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2HF3O2/c11-4-7-5-1-2-8-3-6(5)9-10-7;3-2(4,5)1(6)7/h4,8H,1-3H2,(H,9,10);(H,6,7).
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid?
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 265.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162316683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).