1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

C17H14BrNO2 — CID 14957728

IUPAC1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C17H14BrNO2/c1-17(2)10-14(19-8-4-3-5-15(19)20)12-7-6-11(18)9-13(12)16(17)21/h3-10H,1-2H3
InChIKeyGLPWNSSQFMBSMF-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.72
Rot. Bonds1

About 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957728) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957728
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C17H14BrNO2/c1-17(2)10-14(19-8-4-3-5-15(19)20)12-7-6-11(18)9-13(12)16(17)21/h3-10H,1-2H3
InChIKeyGLPWNSSQFMBSMF-UHFFFAOYSA-N
XLogP3.72
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957728) is 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is GLPWNSSQFMBSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-17(2)10-14(19-8-4-3-5-15(19)20)12-7-6-11(18)9-13(12)16(17)21/h3-10H,1-2H3.
What are the key properties of 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 344.21 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).