5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one

C16H13NO2 — CID 122358466

IUPAC5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one
SMILESCOc1ccc2cc(-c3ccc(=O)[nH]c3)ccc2c1
InChIInChI=1S/C16H13NO2/c1-19-15-6-4-11-8-12(2-3-13(11)9-15)14-5-7-16(18)17-10-14/h2-10H,1H3,(H,17,18)
InChIKeyHHBALLWPWKIRRB-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.20
Rot. Bonds2

About 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one

5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one (PubChem CID 122358466) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one
PubChem CID122358466
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one
SMILESCOc1ccc2cc(-c3ccc(=O)[nH]c3)ccc2c1
InChIInChI=1S/C16H13NO2/c1-19-15-6-4-11-8-12(2-3-13(11)9-15)14-5-7-16(18)17-10-14/h2-10H,1H3,(H,17,18)
InChIKeyHHBALLWPWKIRRB-UHFFFAOYSA-N
XLogP3.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one (CID 122358466) is 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one is COc1ccc2cc(-c3ccc(=O)[nH]c3)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one?
The InChIKey is HHBALLWPWKIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-15-6-4-11-8-12(2-3-13(11)9-15)14-5-7-16(18)17-10-14/h2-10H,1H3,(H,17,18).
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one?
5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 122358466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).