2,6-difluoro-N-pyridin-3-ylbenzamide

C12H8F2N2O — CID 723403

IUPAC2,6-difluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1c(F)cccc1F
InChIInChI=1S/C12H8F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-8-3-2-6-15-7-8/h1-7H,(H,16,17)
InChIKeyHVCHIVMOEVVSIV-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.61
Rot. Bonds2

About 2,6-difluoro-N-pyridin-3-ylbenzamide

2,6-difluoro-N-pyridin-3-ylbenzamide (PubChem CID 723403) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is 2,6-difluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-pyridin-3-ylbenzamide
PubChem CID723403
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2,6-difluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1c(F)cccc1F
InChIInChI=1S/C12H8F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-8-3-2-6-15-7-8/h1-7H,(H,16,17)
InChIKeyHVCHIVMOEVVSIV-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 2,6-difluoro-N-pyridin-3-ylbenzamide (CID 723403) is 2,6-difluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-pyridin-3-ylbenzamide?
The InChIKey is HVCHIVMOEVVSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-8-3-2-6-15-7-8/h1-7H,(H,16,17).
What are the key properties of 2,6-difluoro-N-pyridin-3-ylbenzamide?
2,6-difluoro-N-pyridin-3-ylbenzamide has a molecular weight of 234.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 723403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).