1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone

C18H15NO2 — CID 25034348

IUPAC1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone
SMILESCOc1ccc2cc(-c3cncc(C(C)=O)c3)ccc2c1
InChIInChI=1S/C18H15NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-11H,1-2H3
InChIKeyPECISPDQTYCDOA-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.11
Rot. Bonds3

About 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone

1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone (PubChem CID 25034348) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone
PubChem CID25034348
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone
SMILESCOc1ccc2cc(-c3cncc(C(C)=O)c3)ccc2c1
InChIInChI=1S/C18H15NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-11H,1-2H3
InChIKeyPECISPDQTYCDOA-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone (CID 25034348) is 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone is COc1ccc2cc(-c3cncc(C(C)=O)c3)ccc2c1.
What is the InChIKey of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone?
The InChIKey is PECISPDQTYCDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-11H,1-2H3.
What are the key properties of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone?
1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone has a molecular weight of 277.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 25034348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).