3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine

C10H11F3N2 — CID 138737728

IUPAC3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine
SMILESCC1(C)CNc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C10H11F3N2/c1-9(2)5-15-8-7(9)3-6(4-14-8)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyITXJOFDIHAKFDF-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.80
Rot. Bonds

About 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine

3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine (PubChem CID 138737728) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine
PubChem CID138737728
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine
SMILESCC1(C)CNc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C10H11F3N2/c1-9(2)5-15-8-7(9)3-6(4-14-8)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyITXJOFDIHAKFDF-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine (CID 138737728) is 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine is CC1(C)CNc2ncc(C(F)(F)F)cc21.
What is the InChIKey of 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is ITXJOFDIHAKFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-9(2)5-15-8-7(9)3-6(4-14-8)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine?
3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 216.21 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 138737728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).