5-bromo-1-cyclopropyl-3-methylpyridin-2-one

C9H10BrNO — CID 118022249

IUPAC5-bromo-1-cyclopropyl-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C2CC2)c1=O
InChIInChI=1S/C9H10BrNO/c1-6-4-7(10)5-11(9(6)12)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKeyNJECTOFDSITNSM-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.25
Rot. Bonds1

About 5-bromo-1-cyclopropyl-3-methylpyridin-2-one

5-bromo-1-cyclopropyl-3-methylpyridin-2-one (PubChem CID 118022249) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-1-cyclopropyl-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-cyclopropyl-3-methylpyridin-2-one
PubChem CID118022249
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name5-bromo-1-cyclopropyl-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C2CC2)c1=O
InChIInChI=1S/C9H10BrNO/c1-6-4-7(10)5-11(9(6)12)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKeyNJECTOFDSITNSM-UHFFFAOYSA-N
XLogP2.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropyl-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-cyclopropyl-3-methylpyridin-2-one (CID 118022249) is 5-bromo-1-cyclopropyl-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-cyclopropyl-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-cyclopropyl-3-methylpyridin-2-one is Cc1cc(Br)cn(C2CC2)c1=O.
What is the InChIKey of 5-bromo-1-cyclopropyl-3-methylpyridin-2-one?
The InChIKey is NJECTOFDSITNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-4-7(10)5-11(9(6)12)8-2-3-8/h4-5,8H,2-3H2,1H3.
What are the key properties of 5-bromo-1-cyclopropyl-3-methylpyridin-2-one?
5-bromo-1-cyclopropyl-3-methylpyridin-2-one has a molecular weight of 228.09 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropyl-3-methylpyridin-2-one is sourced from PubChem (CID 118022249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).