6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

C8H5F3N2O — CID 10608156

IUPAC6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(C(F)(F)F)cc2N1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-6-5(12-3-4)2-7(14)13-6/h1,3H,2H2,(H,13,14)
InChIKeyDVEYYVCFYITQQF-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.60
Rot. Bonds

About 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (PubChem CID 10608156) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
PubChem CID10608156
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(C(F)(F)F)cc2N1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-6-5(12-3-4)2-7(14)13-6/h1,3H,2H2,(H,13,14)
InChIKeyDVEYYVCFYITQQF-UHFFFAOYSA-N
XLogP1.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (CID 10608156) is 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is O=C1Cc2ncc(C(F)(F)F)cc2N1.
What is the InChIKey of 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The InChIKey is DVEYYVCFYITQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-6-5(12-3-4)2-7(14)13-6/h1,3H,2H2,(H,13,14).
What are the key properties of 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one has a molecular weight of 202.13 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 10608156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).