2,3,5,6-tetrafluoro-1-methyl-2H-pyridine

C6H5F4N — CID 19426257

IUPAC2,3,5,6-tetrafluoro-1-methyl-2H-pyridine
SMILESCN1C(F)=C(F)C=C(F)C1F
InChIInChI=1S/C6H5F4N/c1-11-5(9)3(7)2-4(8)6(11)10/h2,5H,1H3
InChIKeyFLGAZOUCPHXOKG-UHFFFAOYSA-N
MW167.10 g/mol
LogP2.19
Rot. Bonds

About 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine

2,3,5,6-tetrafluoro-1-methyl-2H-pyridine (PubChem CID 19426257) has the molecular formula C6H5F4N and a molecular weight of 167.10 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-1-methyl-2H-pyridine
PubChem CID19426257
Molecular FormulaC6H5F4N
Molecular Weight167.10 g/mol
Exact Mass167.04
IUPAC Name2,3,5,6-tetrafluoro-1-methyl-2H-pyridine
SMILESCN1C(F)=C(F)C=C(F)C1F
InChIInChI=1S/C6H5F4N/c1-11-5(9)3(7)2-4(8)6(11)10/h2,5H,1H3
InChIKeyFLGAZOUCPHXOKG-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 52.19
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 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine (CID 19426257) is 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine is CN1C(F)=C(F)C=C(F)C1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine?
The InChIKey is FLGAZOUCPHXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N/c1-11-5(9)3(7)2-4(8)6(11)10/h2,5H,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine?
2,3,5,6-tetrafluoro-1-methyl-2H-pyridine has a molecular weight of 167.10 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-1-methyl-2H-pyridine is sourced from PubChem (CID 19426257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).