1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium

C17H16N+ — CID 59522858

IUPAC1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2ccccc12
InChIInChI=1S/C17H16N/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2/h3-12H,1-2H3/q+1
InChIKeyDJMTWRIIOKRMML-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.64
Rot. Bonds1

About 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium

1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium (PubChem CID 59522858) has the molecular formula C17H16N+ and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
PubChem CID59522858
Molecular FormulaC17H16N+
Molecular Weight234.32 g/mol
Exact Mass234.13
IUPAC Name1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2ccccc12
InChIInChI=1S/C17H16N/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2/h3-12H,1-2H3/q+1
InChIKeyDJMTWRIIOKRMML-UHFFFAOYSA-N
XLogP3.64
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
CID 159416367
1-methyl-2-(7-methyl-1-benzofuran-6-yl)pyridin-1-ium
CID 148870416
1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium
CID 149202475
2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 158240011
1-methyl-2-[1-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-1-(2-methylphenyl)ethyl]pyridin-1-ium;1-methyl-2-[2-methyl-3-[1-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl]pyridin-1-ium
CID 159155519
ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium
CID 159518590
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
10-methyl-9-(1-methylnaphthalen-2-yl)-5,7-dithia-10-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 153422116
ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 158481400
10-methyl-9-(1-methylnaphthalen-2-yl)-3,7-diselena-10-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
CID 167427603
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium (CID 59522858) is 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium is Cc1c(-c2cccc[n+]2C)ccc2ccccc12.
What is the InChIKey of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium?
The InChIKey is DJMTWRIIOKRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2/h3-12H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium?
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium has a molecular weight of 234.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium is sourced from PubChem (CID 59522858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).