3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol

C11H11F3N2O — CID 137424357

IUPAC3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol
SMILESOC1(C2(C(F)(F)F)CC2)CNc2ncccc21
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9(3-4-9)10(17)6-16-8-7(10)2-1-5-15-8/h1-2,5,17H,3-4,6H2,(H,15,16)
InChIKeyHTJMRIZDFPKLKL-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.04
Rot. Bonds1

About 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol

3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol (PubChem CID 137424357) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol.

Molecular Properties

Compound Name3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol
PubChem CID137424357
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol
SMILESOC1(C2(C(F)(F)F)CC2)CNc2ncccc21
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9(3-4-9)10(17)6-16-8-7(10)2-1-5-15-8/h1-2,5,17H,3-4,6H2,(H,15,16)
InChIKeyHTJMRIZDFPKLKL-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol?
The IUPAC name of 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol (CID 137424357) is 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol.
What is the SMILES notation for 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol?
The canonical SMILES for 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol is OC1(C2(C(F)(F)F)CC2)CNc2ncccc21.
What is the InChIKey of 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol?
The InChIKey is HTJMRIZDFPKLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9(3-4-9)10(17)6-16-8-7(10)2-1-5-15-8/h1-2,5,17H,3-4,6H2,(H,15,16).
What are the key properties of 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol?
3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol has a molecular weight of 244.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyrrolo[2,3-b]pyridin-3-ol is sourced from PubChem (CID 137424357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).