6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine

C20H19N2O+ — CID 160809491

IUPAC6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc(-c2cc3c(cc2C)oc2cnc(C)cc23)[n+](C)c1
InChIInChI=1S/C20H19N2O/c1-12-5-6-18(22(4)11-12)15-9-17-16-8-14(3)21-10-20(16)23-19(17)7-13(15)2/h5-11H,1-4H3/q+1
InChIKeyDWMNKFNFDGQSNH-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.40
Rot. Bonds1

About 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine

6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 160809491) has the molecular formula C20H19N2O+ and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine
PubChem CID160809491
Molecular FormulaC20H19N2O+
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC Name6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc(-c2cc3c(cc2C)oc2cnc(C)cc23)[n+](C)c1
InChIInChI=1S/C20H19N2O/c1-12-5-6-18(22(4)11-12)15-9-17-16-8-14(3)21-10-20(16)23-19(17)7-13(15)2/h5-11H,1-4H3/q+1
InChIKeyDWMNKFNFDGQSNH-UHFFFAOYSA-N
XLogP4.40
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine
CID 159117597
trimethyl-[1-methyl-6-(3-methyldibenzofuran-2-yl)pyridin-1-ium-3-yl]silane
CID 167365206
1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 158630499
4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076406
5-(1,5-dimethylpyridin-1-ium-2-yl)-6-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 157225484
2-(7-isocyano-2-methyl-6-phenyldibenzofuran-3-yl)-1,5-dimethylpyridin-1-ium
CID 162505826
2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)-1,5-dimethylpyridin-1-ium
CID 177075003
1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
CID 123509161
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
2-(5-tert-butyl-4-fluoro-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 167365672
7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 170251327
2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine
CID 153102145

Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine (CID 160809491) is 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine is Cc1ccc(-c2cc3c(cc2C)oc2cnc(C)cc23)[n+](C)c1.
What is the InChIKey of 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is DWMNKFNFDGQSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2O/c1-12-5-6-18(22(4)11-12)15-9-17-16-8-14(3)21-10-20(16)23-19(17)7-13(15)2/h5-11H,1-4H3/q+1.
What are the key properties of 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine?
6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 303.39 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 160809491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).