5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine

C14H13F3N2 — CID 142811632

IUPAC5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1ccccc1C1C=NC2NC=CC2C1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)12-4-2-1-3-11(12)10-7-9-5-6-18-13(9)19-8-10/h1-6,8-10,13,18H,7H2
InChIKeyFPKZVJRCEPFUKR-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.32
Rot. Bonds1

About 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine

5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142811632) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID142811632
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1ccccc1C1C=NC2NC=CC2C1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)12-4-2-1-3-11(12)10-7-9-5-6-18-13(9)19-8-10/h1-6,8-10,13,18H,7H2
InChIKeyFPKZVJRCEPFUKR-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine (CID 142811632) is 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)c1ccccc1C1C=NC2NC=CC2C1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FPKZVJRCEPFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)12-4-2-1-3-11(12)10-7-9-5-6-18-13(9)19-8-10/h1-6,8-10,13,18H,7H2.
What are the key properties of 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 266.27 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142811632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).