pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid

C9H5F3N2O3 — CID 161093917

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

About pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid

pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid (PubChem CID 161093917) has the molecular formula C9H5F3N2O3 and a molecular weight of 246.14 g/mol. Its IUPAC name is pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid
PubChem CID161093917
Molecular FormulaC9H5F3N2O3
Molecular Weight246.14 g/mol
Exact Mass246.03
IUPAC Namepyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1N=CC=C2C=CN=C12
InChIInChI=1S/C7H4N2O.C2HF3O2/c10-7-6-5(1-3-8-6)2-4-9-7;3-2(4,5)1(6)7/h1-4H;(H,6,7)
InChIKeyUHNPVLGDEXGXFB-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

4-(Trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one
CID 171623188
Pyrrolo[3,4-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 157256481

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid (CID 161093917) is pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1N=CC=C2C=CN=C12.
What is the InChIKey of pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
The InChIKey is UHNPVLGDEXGXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O.C2HF3O2/c10-7-6-5(1-3-8-6)2-4-9-7;3-2(4,5)1(6)7/h1-4H;(H,6,7).
What are the key properties of pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
pyrrolo[2,3-c]pyridin-7-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[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161093917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).