6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one

C12H16BrNO — CID 155654468

IUPAC6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one
SMILESCC(C)(C)c1ccc(Br)n(C2CC2)c1=O
InChIInChI=1S/C12H16BrNO/c1-12(2,3)9-6-7-10(13)14(11(9)15)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyUHPNFSKMPNBYDO-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.24
Rot. Bonds1

About 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one

6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one (PubChem CID 155654468) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one
PubChem CID155654468
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one
SMILESCC(C)(C)c1ccc(Br)n(C2CC2)c1=O
InChIInChI=1S/C12H16BrNO/c1-12(2,3)9-6-7-10(13)14(11(9)15)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyUHPNFSKMPNBYDO-UHFFFAOYSA-N
XLogP3.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one?
The IUPAC name of 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one (CID 155654468) is 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one?
The canonical SMILES for 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one is CC(C)(C)c1ccc(Br)n(C2CC2)c1=O.
What is the InChIKey of 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one?
The InChIKey is UHPNFSKMPNBYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,3)9-6-7-10(13)14(11(9)15)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one?
6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one has a molecular weight of 270.17 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 155654468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).