1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one

C10H9F3N2O — CID 122227895

IUPAC1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCc2cccnc21
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)6-8(16)15-5-3-7-2-1-4-14-9(7)15/h1-2,4H,3,5-6H2
InChIKeyKTPUFIAXMRZPHY-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.92
Rot. Bonds1

About 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one

1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 122227895) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one
PubChem CID122227895
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCc2cccnc21
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)6-8(16)15-5-3-7-2-1-4-14-9(7)15/h1-2,4H,3,5-6H2
InChIKeyKTPUFIAXMRZPHY-UHFFFAOYSA-N
XLogP1.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one (CID 122227895) is 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)N1CCc2cccnc21.
What is the InChIKey of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is KTPUFIAXMRZPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)6-8(16)15-5-3-7-2-1-4-14-9(7)15/h1-2,4H,3,5-6H2.
What are the key properties of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one?
1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 230.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 122227895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).