1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one

C15H12BrNO — CID 70365484

IUPAC1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one
SMILESO=c1ccccn1C1=CCCc2ccc(Br)cc21
InChIInChI=1S/C15H12BrNO/c16-12-8-7-11-4-3-5-14(13(11)10-12)17-9-2-1-6-15(17)18/h1-2,5-10H,3-4H2
InChIKeyRFSNNQKMGUGDOM-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.45
Rot. Bonds1

About 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one

1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one (PubChem CID 70365484) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one
PubChem CID70365484
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one
SMILESO=c1ccccn1C1=CCCc2ccc(Br)cc21
InChIInChI=1S/C15H12BrNO/c16-12-8-7-11-4-3-5-14(13(11)10-12)17-9-2-1-6-15(17)18/h1-2,5-10H,3-4H2
InChIKeyRFSNNQKMGUGDOM-UHFFFAOYSA-N
XLogP3.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one (CID 70365484) is 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one is O=c1ccccn1C1=CCCc2ccc(Br)cc21.
What is the InChIKey of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one?
The InChIKey is RFSNNQKMGUGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-12-8-7-11-4-3-5-14(13(11)10-12)17-9-2-1-6-15(17)18/h1-2,5-10H,3-4H2.
What are the key properties of 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one?
1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one has a molecular weight of 302.17 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3,4-dihydronaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 70365484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).