2-methyl-6-phenylpyridin-1-ium

C12H12N+ — CID 102599975

IUPAC2-methyl-6-phenylpyridin-1-ium
SMILESCc1cccc(-c2ccccc2)[nH+]1
InChIInChI=1S/C12H11N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-9H,1H3/p+1
InChIKeyGREMYQDDZRJQEG-UHFFFAOYSA-O
MW170.23 g/mol
LogP2.48
Rot. Bonds1

About 2-methyl-6-phenylpyridin-1-ium

2-methyl-6-phenylpyridin-1-ium (PubChem CID 102599975) has the molecular formula C12H12N+ and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-methyl-6-phenylpyridin-1-ium.

Molecular Properties

Compound Name2-methyl-6-phenylpyridin-1-ium
PubChem CID102599975
Molecular FormulaC12H12N+
Molecular Weight170.23 g/mol
Exact Mass170.10
IUPAC Name2-methyl-6-phenylpyridin-1-ium
SMILESCc1cccc(-c2ccccc2)[nH+]1
InChIInChI=1S/C12H11N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-9H,1H3/p+1
InChIKeyGREMYQDDZRJQEG-UHFFFAOYSA-O
XLogP2.48
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-6-(2-methylphenyl)pyridin-1-ium
CID 135085463
7-methyl-3-phenylbenzo[f]quinolin-4-ium
CID 140780622
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
benzene;1,1'-biphenyl;ethane
CID 158550617
azulene;phosphane
CID 175448344
2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride
CID 19261661
1,1'-biphenyl;toluene
CID 18366440
benzene;tris(1,1'-biphenyl)
CID 162155747
3,5-dimethyl-2,4,6-triphenylpyridin-1-ium
CID 100929279
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylpyridin-1-ium?
The IUPAC name of 2-methyl-6-phenylpyridin-1-ium (CID 102599975) is 2-methyl-6-phenylpyridin-1-ium.
What is the SMILES notation for 2-methyl-6-phenylpyridin-1-ium?
The canonical SMILES for 2-methyl-6-phenylpyridin-1-ium is Cc1cccc(-c2ccccc2)[nH+]1.
What is the InChIKey of 2-methyl-6-phenylpyridin-1-ium?
The InChIKey is GREMYQDDZRJQEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-9H,1H3/p+1.
What are the key properties of 2-methyl-6-phenylpyridin-1-ium?
2-methyl-6-phenylpyridin-1-ium has a molecular weight of 170.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylpyridin-1-ium is sourced from PubChem (CID 102599975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).