1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one

C17H16BrNO2 — CID 70365483

IUPAC1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one
SMILESCC1(C)C=C(n2ccc(O)cc2=O)c2cc(Br)ccc2C1
InChIInChI=1S/C17H16BrNO2/c1-17(2)9-11-3-4-12(18)7-14(11)15(10-17)19-6-5-13(20)8-16(19)21/h3-8,10,20H,9H2,1-2H3
InChIKeyFKNKXLWFUPGVCA-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.79
Rot. Bonds1

About 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one

1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one (PubChem CID 70365483) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one
PubChem CID70365483
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one
SMILESCC1(C)C=C(n2ccc(O)cc2=O)c2cc(Br)ccc2C1
InChIInChI=1S/C17H16BrNO2/c1-17(2)9-11-3-4-12(18)7-14(11)15(10-17)19-6-5-13(20)8-16(19)21/h3-8,10,20H,9H2,1-2H3
InChIKeyFKNKXLWFUPGVCA-UHFFFAOYSA-N
XLogP3.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one?
The IUPAC name of 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one (CID 70365483) is 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one?
The canonical SMILES for 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one is CC1(C)C=C(n2ccc(O)cc2=O)c2cc(Br)ccc2C1.
What is the InChIKey of 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one?
The InChIKey is FKNKXLWFUPGVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-17(2)9-11-3-4-12(18)7-14(11)15(10-17)19-6-5-13(20)8-16(19)21/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one?
1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one has a molecular weight of 346.22 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3,3-dimethyl-4H-naphthalen-1-yl)-4-hydroxypyridin-2-one is sourced from PubChem (CID 70365483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).