1-(trifluoromethyl)-2H-pyridine

C6H6F3N — CID 91615672

IUPAC1-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)N1C=CC=CC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)10-4-2-1-3-5-10/h1-4H,5H2
InChIKeyURYWLMOXFFOFLE-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.89
Rot. Bonds

About 1-(trifluoromethyl)-2H-pyridine

1-(trifluoromethyl)-2H-pyridine (PubChem CID 91615672) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(trifluoromethyl)-2H-pyridine
PubChem CID91615672
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name1-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)N1C=CC=CC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)10-4-2-1-3-5-10/h1-4H,5H2
InChIKeyURYWLMOXFFOFLE-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1-(trifluoromethyl)-2H-pyridine (CID 91615672) is 1-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1-(trifluoromethyl)-2H-pyridine is FC(F)(F)N1C=CC=CC1.
What is the InChIKey of 1-(trifluoromethyl)-2H-pyridine?
The InChIKey is URYWLMOXFFOFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)10-4-2-1-3-5-10/h1-4H,5H2.
What are the key properties of 1-(trifluoromethyl)-2H-pyridine?
1-(trifluoromethyl)-2H-pyridine has a molecular weight of 149.12 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 91615672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).