2-bromo-6-fluoro-N-pyridin-4-ylbenzamide

C12H8BrFN2O — CID 59618072

IUPAC2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)cccc1Br
InChIInChI=1S/C12H8BrFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17)
InChIKeyRAPKGGMMDZSNEY-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.24
Rot. Bonds2

About 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide

2-bromo-6-fluoro-N-pyridin-4-ylbenzamide (PubChem CID 59618072) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
PubChem CID59618072
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)cccc1Br
InChIInChI=1S/C12H8BrFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17)
InChIKeyRAPKGGMMDZSNEY-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide (CID 59618072) is 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide?
The InChIKey is RAPKGGMMDZSNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17).
What are the key properties of 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide?
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide has a molecular weight of 295.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59618072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).