2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide

C12H5F5N2O — CID 2292990

IUPAC2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F5N2O/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-5-1-3-18-4-2-5/h1-4H,(H,18,19,20)
InChIKeyWGVFHSJBPDGSIX-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.03
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide

2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide (PubChem CID 2292990) has the molecular formula C12H5F5N2O and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide
PubChem CID2292990
Molecular FormulaC12H5F5N2O
Molecular Weight288.17 g/mol
Exact Mass288.03
IUPAC Name2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F5N2O/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-5-1-3-18-4-2-5/h1-4H,(H,18,19,20)
InChIKeyWGVFHSJBPDGSIX-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide (CID 2292990) is 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide?
The InChIKey is WGVFHSJBPDGSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5N2O/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-5-1-3-18-4-2-5/h1-4H,(H,18,19,20).
What are the key properties of 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide?
2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide has a molecular weight of 288.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 2292990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).