6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine

C8H9F3N2 — CID 69074429

IUPAC6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine
SMILESFC(F)(F)n1cc2c(c1)NCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)13-4-6-2-1-3-12-7(6)5-13/h4-5,12H,1-3H2
InChIKeyVCVHGUSVNJHBQO-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.32
Rot. Bonds

About 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine

6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine (PubChem CID 69074429) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine
PubChem CID69074429
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine
SMILESFC(F)(F)n1cc2c(c1)NCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)13-4-6-2-1-3-12-7(6)5-13/h4-5,12H,1-3H2
InChIKeyVCVHGUSVNJHBQO-UHFFFAOYSA-N
XLogP2.32
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine (CID 69074429) is 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine is FC(F)(F)n1cc2c(c1)NCCC2.
What is the InChIKey of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine?
The InChIKey is VCVHGUSVNJHBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)13-4-6-2-1-3-12-7(6)5-13/h4-5,12H,1-3H2.
What are the key properties of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine?
6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine has a molecular weight of 190.17 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 69074429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).