1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine

C5H3F4N — CID 175888666

IUPAC1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine
SMILES[2H]N1C=C(F)C(F)=C(F)C1F
InChIInChI=1S/C5H3F4N/c6-2-1-10-5(9)4(8)3(2)7/h1,5,10H/i/hD
InChIKeySOXSUCZUWFLUCR-DYCDLGHISA-N
MW154.08 g/mol
LogP1.85
Rot. Bonds

About 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine

1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine (PubChem CID 175888666) has the molecular formula C5H3F4N and a molecular weight of 154.08 g/mol. Its IUPAC name is 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine.

Molecular Properties

Compound Name1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine
PubChem CID175888666
Molecular FormulaC5H3F4N
Molecular Weight154.08 g/mol
Exact Mass154.03
IUPAC Name1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine
SMILES[2H]N1C=C(F)C(F)=C(F)C1F
InChIInChI=1S/C5H3F4N/c6-2-1-10-5(9)4(8)3(2)7/h1,5,10H/i/hD
InChIKeySOXSUCZUWFLUCR-DYCDLGHISA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.08
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-deuterio-2,3,4,5-tetrafluoro-2H-pyridine?
The IUPAC name of 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine (CID 175888666) is 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine.
What is the SMILES notation for 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine?
The canonical SMILES for 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine is [2H]N1C=C(F)C(F)=C(F)C1F.
What is the InChIKey of 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine?
The InChIKey is SOXSUCZUWFLUCR-DYCDLGHISA-N. The full InChI is InChI=1S/C5H3F4N/c6-2-1-10-5(9)4(8)3(2)7/h1,5,10H/i/hD.
What are the key properties of 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine?
1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine has a molecular weight of 154.08 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2,3,4,5-tetrafluoro-2H-pyridine is sourced from PubChem (CID 175888666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).