pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid

C9H5F3N2O3 — CID 157256481

IUPACpyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1N=CC=C2C=NC=C12
InChIInChI=1S/C7H4N2O.C2HF3O2/c10-7-6-4-8-3-5(6)1-2-9-7;3-2(4,5)1(6)7/h1-4H;(H,6,7)
InChIKeyAWYJCGVNXZPNOQ-UHFFFAOYSA-N
MW246.14 g/mol
LogP1.13
Rot. Bonds

About pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid

pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 157256481) has the molecular formula C9H5F3N2O3 and a molecular weight of 246.14 g/mol. Its IUPAC name is pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid
PubChem CID157256481
Molecular FormulaC9H5F3N2O3
Molecular Weight246.14 g/mol
Exact Mass246.03
IUPAC Namepyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1N=CC=C2C=NC=C12
InChIInChI=1S/C7H4N2O.C2HF3O2/c10-7-6-4-8-3-5(6)1-2-9-7;3-2(4,5)1(6)7/h1-4H;(H,6,7)
InChIKeyAWYJCGVNXZPNOQ-UHFFFAOYSA-N
XLogP1.13
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid
CID 161093917

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid (CID 157256481) is pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1N=CC=C2C=NC=C12.
What is the InChIKey of pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is AWYJCGVNXZPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O.C2HF3O2/c10-7-6-4-8-3-5(6)1-2-9-7;3-2(4,5)1(6)7/h1-4H;(H,6,7).
What are the key properties of pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 246.14 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157256481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).