2-(8-methoxynaphthalen-1-yl)pyridin-1-ium

C16H14NO+ — CID 57090583

IUPAC2-(8-methoxynaphthalen-1-yl)pyridin-1-ium
SMILESCOc1cccc2cccc(-c3cccc[nH+]3)c12
InChIInChI=1S/C16H13NO/c1-18-15-10-5-7-12-6-4-8-13(16(12)15)14-9-2-3-11-17-14/h2-11H,1H3/p+1
InChIKeyJNOPQPXBRLVGQS-UHFFFAOYSA-O
MW236.29 g/mol
LogP3.33
Rot. Bonds2

About 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium

2-(8-methoxynaphthalen-1-yl)pyridin-1-ium (PubChem CID 57090583) has the molecular formula C16H14NO+ and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name2-(8-methoxynaphthalen-1-yl)pyridin-1-ium
PubChem CID57090583
Molecular FormulaC16H14NO+
Molecular Weight236.29 g/mol
Exact Mass236.11
IUPAC Name2-(8-methoxynaphthalen-1-yl)pyridin-1-ium
SMILESCOc1cccc2cccc(-c3cccc[nH+]3)c12
InChIInChI=1S/C16H13NO/c1-18-15-10-5-7-12-6-4-8-13(16(12)15)14-9-2-3-11-17-14/h2-11H,1H3/p+1
InChIKeyJNOPQPXBRLVGQS-UHFFFAOYSA-O
XLogP3.33
TPSA23.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-8-(8-methylnaphthalen-1-yl)naphthalene
CID 123360792
[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium
CID 156571682
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
2-(2-methoxyphenyl)borinine
CID 174680579
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
methanol;1-methoxynaphthalene;neptunium
CID 157299455
3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine
CID 10826459
1,4,5,8-tetramethoxynaphthalene
CID 10220551
1,8-dimethoxynaphthalen-2-amine
CID 115022882
1-methoxy-8-propylnaphthalene
CID 22401887
N-[8-(2-methoxyphenyl)naphthalen-1-yl]acetamide
CID 141351710

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium?
The IUPAC name of 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium (CID 57090583) is 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium.
What is the SMILES notation for 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium?
The canonical SMILES for 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium is COc1cccc2cccc(-c3cccc[nH+]3)c12.
What is the InChIKey of 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium?
The InChIKey is JNOPQPXBRLVGQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13NO/c1-18-15-10-5-7-12-6-4-8-13(16(12)15)14-9-2-3-11-17-14/h2-11H,1H3/p+1.
What are the key properties of 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium?
2-(8-methoxynaphthalen-1-yl)pyridin-1-ium has a molecular weight of 236.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxynaphthalen-1-yl)pyridin-1-ium is sourced from PubChem (CID 57090583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).