2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine

C8H9F3N2 — CID 82404226

IUPAC2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
SMILESFC(F)(F)c1cc2c([nH]1)CNCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-3-5-1-2-12-4-6(5)13-7/h3,12-13H,1-2,4H2
InChIKeyMQMJZBQHVGPYST-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.68
Rot. Bonds

About 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine

2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 82404226) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID82404226
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
SMILESFC(F)(F)c1cc2c([nH]1)CNCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-3-5-1-2-12-4-6(5)13-7/h3,12-13H,1-2,4H2
InChIKeyMQMJZBQHVGPYST-UHFFFAOYSA-N
XLogP1.68
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine (CID 82404226) is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine is FC(F)(F)c1cc2c([nH]1)CNCC2.
What is the InChIKey of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is MQMJZBQHVGPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7-3-5-1-2-12-4-6(5)13-7/h3,12-13H,1-2,4H2.
What are the key properties of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 190.17 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 82404226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).