1,5,6-tris(fluoromethyl)-2H-pyridine

C8H10F3N — CID 150429060

IUPAC1,5,6-tris(fluoromethyl)-2H-pyridine
SMILESFCC1=C(CF)N(CF)CC=C1
InChIInChI=1S/C8H10F3N/c9-4-7-2-1-3-12(6-11)8(7)5-10/h1-2H,3-6H2
InChIKeyHJJYWPWBIDXUFB-UHFFFAOYSA-N
MW177.17 g/mol
LogP1.98
Rot. Bonds3

About 1,5,6-tris(fluoromethyl)-2H-pyridine

1,5,6-tris(fluoromethyl)-2H-pyridine (PubChem CID 150429060) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 1,5,6-tris(fluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1,5,6-tris(fluoromethyl)-2H-pyridine
PubChem CID150429060
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1,5,6-tris(fluoromethyl)-2H-pyridine
SMILESFCC1=C(CF)N(CF)CC=C1
InChIInChI=1S/C8H10F3N/c9-4-7-2-1-3-12(6-11)8(7)5-10/h1-2H,3-6H2
InChIKeyHJJYWPWBIDXUFB-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 51.98
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 1,5,6-tris(fluoromethyl)-2H-pyridine?
The IUPAC name of 1,5,6-tris(fluoromethyl)-2H-pyridine (CID 150429060) is 1,5,6-tris(fluoromethyl)-2H-pyridine.
What is the SMILES notation for 1,5,6-tris(fluoromethyl)-2H-pyridine?
The canonical SMILES for 1,5,6-tris(fluoromethyl)-2H-pyridine is FCC1=C(CF)N(CF)CC=C1.
What is the InChIKey of 1,5,6-tris(fluoromethyl)-2H-pyridine?
The InChIKey is HJJYWPWBIDXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c9-4-7-2-1-3-12(6-11)8(7)5-10/h1-2H,3-6H2.
What are the key properties of 1,5,6-tris(fluoromethyl)-2H-pyridine?
1,5,6-tris(fluoromethyl)-2H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-tris(fluoromethyl)-2H-pyridine is sourced from PubChem (CID 150429060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).