3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one

C16H15BrFNO — CID 58217772

IUPAC3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCC(c1ccc(F)cc1)n1cc(C2CC2)cc(Br)c1=O
InChIInChI=1S/C16H15BrFNO/c1-10(11-4-6-14(18)7-5-11)19-9-13(12-2-3-12)8-15(17)16(19)20/h4-10,12H,2-3H2,1H3
InChIKeyMKBDEKMMWNIKFK-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.24
Rot. Bonds3

About 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one

3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one (PubChem CID 58217772) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
PubChem CID58217772
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCC(c1ccc(F)cc1)n1cc(C2CC2)cc(Br)c1=O
InChIInChI=1S/C16H15BrFNO/c1-10(11-4-6-14(18)7-5-11)19-9-13(12-2-3-12)8-15(17)16(19)20/h4-10,12H,2-3H2,1H3
InChIKeyMKBDEKMMWNIKFK-UHFFFAOYSA-N
XLogP4.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one (CID 58217772) is 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one is CC(c1ccc(F)cc1)n1cc(C2CC2)cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
The InChIKey is MKBDEKMMWNIKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10(11-4-6-14(18)7-5-11)19-9-13(12-2-3-12)8-15(17)16(19)20/h4-10,12H,2-3H2,1H3.
What are the key properties of 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one?
3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one has a molecular weight of 336.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclopropyl-1-[1-(4-fluorophenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 58217772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).