5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide

C12H7BrFNO3 — CID 930222

IUPAC5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1coc(=O)c(Br)c1
InChIInChI=1S/C12H7BrFNO3/c13-10-4-7(6-18-12(10)17)11(16)15-9-3-1-2-8(14)5-9/h1-6H,(H,15,16)
InChIKeyHOCMPYZCTOOHOQ-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide

5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide (PubChem CID 930222) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide
PubChem CID930222
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1coc(=O)c(Br)c1
InChIInChI=1S/C12H7BrFNO3/c13-10-4-7(6-18-12(10)17)11(16)15-9-3-1-2-8(14)5-9/h1-6H,(H,15,16)
InChIKeyHOCMPYZCTOOHOQ-UHFFFAOYSA-N
XLogP2.79
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide (CID 930222) is 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide is O=C(Nc1cccc(F)c1)c1coc(=O)c(Br)c1.
What is the InChIKey of 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide?
The InChIKey is HOCMPYZCTOOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-10-4-7(6-18-12(10)17)11(16)15-9-3-1-2-8(14)5-9/h1-6H,(H,15,16).
What are the key properties of 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide?
5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide has a molecular weight of 312.09 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluorophenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 930222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).