2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile

C6H2F4N2 — CID 88703263

IUPAC2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile
SMILESN#CC1(F)C(F)=C(F)C=NC1F
InChIInChI=1S/C6H2F4N2/c7-3-1-12-5(9)6(10,2-11)4(3)8/h1,5H
InChIKeyGRVQIWQKTJWSTN-UHFFFAOYSA-N
MW178.09 g/mol
LogP1.75
Rot. Bonds

About 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile

2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile (PubChem CID 88703263) has the molecular formula C6H2F4N2 and a molecular weight of 178.09 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile
PubChem CID88703263
Molecular FormulaC6H2F4N2
Molecular Weight178.09 g/mol
Exact Mass178.02
IUPAC Name2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile
SMILESN#CC1(F)C(F)=C(F)C=NC1F
InChIInChI=1S/C6H2F4N2/c7-3-1-12-5(9)6(10,2-11)4(3)8/h1,5H
InChIKeyGRVQIWQKTJWSTN-UHFFFAOYSA-N
XLogP1.75
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.09
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile?
The IUPAC name of 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile (CID 88703263) is 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile?
The canonical SMILES for 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile is N#CC1(F)C(F)=C(F)C=NC1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile?
The InChIKey is GRVQIWQKTJWSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4N2/c7-3-1-12-5(9)6(10,2-11)4(3)8/h1,5H.
What are the key properties of 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile?
2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile has a molecular weight of 178.09 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 88703263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).