2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine

C20H19N2+ — CID 159754934

IUPAC2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine
SMILESCc1ccc2c(n1)Cc1ccc(-c3cccc[n+]3C)c(C)c1-2
InChIInChI=1S/C20H19N2/c1-13-7-9-17-18(21-13)12-15-8-10-16(14(2)20(15)17)19-6-4-5-11-22(19)3/h4-11H,12H2,1-3H3/q+1
InChIKeyFNERTNBQHJLNAM-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.76
Rot. Bonds1

About 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine

2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine (PubChem CID 159754934) has the molecular formula C20H19N2+ and a molecular weight of 287.39 g/mol. Its IUPAC name is 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine
PubChem CID159754934
Molecular FormulaC20H19N2+
Molecular Weight287.39 g/mol
Exact Mass287.15
IUPAC Name2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine
SMILESCc1ccc2c(n1)Cc1ccc(-c3cccc[n+]3C)c(C)c1-2
InChIInChI=1S/C20H19N2/c1-13-7-9-17-18(21-13)12-15-8-10-16(14(2)20(15)17)19-6-4-5-11-22(19)3/h4-11H,12H2,1-3H3/q+1
InChIKeyFNERTNBQHJLNAM-UHFFFAOYSA-N
XLogP3.76
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
CID 158693695
3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 160846194
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
5,13-dimethyl-4-(2-methylphenyl)-4,12-diaza-5-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,5,7,11(16),12,14-heptaene
CID 158512896
1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
CID 159416367
2,6,7-trimethyl-9H-indeno[2,1-b]pyridine
CID 59560989
2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 158240011
1-methyl-2-(7-methyl-1-benzofuran-6-yl)pyridin-1-ium
CID 148870416
4,11-dimethyl-5-(2-methylphenyl)-6,10-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159935272
6-[3-methyl-2-(1-methylpyridin-1-ium-2-yl)phenyl]-9H-indeno[2,1-b]pyridine
CID 160701759
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine?
The IUPAC name of 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine (CID 159754934) is 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine?
The canonical SMILES for 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine is Cc1ccc2c(n1)Cc1ccc(-c3cccc[n+]3C)c(C)c1-2.
What is the InChIKey of 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine?
The InChIKey is FNERTNBQHJLNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2/c1-13-7-9-17-18(21-13)12-15-8-10-16(14(2)20(15)17)19-6-4-5-11-22(19)3/h4-11H,12H2,1-3H3/q+1.
What are the key properties of 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine?
2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine has a molecular weight of 287.39 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine is sourced from PubChem (CID 159754934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).