2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C14H12F3N3O — CID 23585103

IUPAC2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1cc(-c1ccncc1)n2CC(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)8-20-11-3-6-19-13(21)10(11)7-12(20)9-1-4-18-5-2-9/h1-2,4-5,7H,3,6,8H2,(H,19,21)
InChIKeySAKAEWAAOFPWBD-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.40
Rot. Bonds2

About 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585103) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585103
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1cc(-c1ccncc1)n2CC(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)8-20-11-3-6-19-13(21)10(11)7-12(20)9-1-4-18-5-2-9/h1-2,4-5,7H,3,6,8H2,(H,19,21)
InChIKeySAKAEWAAOFPWBD-UHFFFAOYSA-N
XLogP2.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585103) is 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1cc(-c1ccncc1)n2CC(F)(F)F.
What is the InChIKey of 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is SAKAEWAAOFPWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)8-20-11-3-6-19-13(21)10(11)7-12(20)9-1-4-18-5-2-9/h1-2,4-5,7H,3,6,8H2,(H,19,21).
What are the key properties of 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 295.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).