7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine

C19H17N2O+ — CID 159117597

IUPAC7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine
SMILESCc1ccc(-c2cc3oc4ccncc4c3cc2C)[n+](C)c1
InChIInChI=1S/C19H17N2O/c1-12-4-5-17(21(3)11-12)14-9-19-15(8-13(14)2)16-10-20-7-6-18(16)22-19/h4-11H,1-3H3/q+1
InChIKeyGUEYZZSINFPLIB-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.09
Rot. Bonds1

About 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine

7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 159117597) has the molecular formula C19H17N2O+ and a molecular weight of 289.36 g/mol. Its IUPAC name is 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine
PubChem CID159117597
Molecular FormulaC19H17N2O+
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC Name7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine
SMILESCc1ccc(-c2cc3oc4ccncc4c3cc2C)[n+](C)c1
InChIInChI=1S/C19H17N2O/c1-12-4-5-17(21(3)11-12)14-9-19-15(8-13(14)2)16-10-20-7-6-18(16)22-19/h4-11H,1-3H3/q+1
InChIKeyGUEYZZSINFPLIB-UHFFFAOYSA-N
XLogP4.09
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.09
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

6-(1,5-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-[1]benzofuro[2,3-c]pyridine
CID 160809491
1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
CID 123509161
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
trimethyl-[1-methyl-6-(3-methyldibenzofuran-2-yl)pyridin-1-ium-3-yl]silane
CID 167365206
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
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 140791467
2-(5-tert-butyl-4-fluoro-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 167365672
2-methyl-3-(6-methyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-yl)isoquinolin-2-ium
CID 176787840
1-methyl-2-(2-methyl-[1]benzofuro[2,3-b][1]benzofuran-3-yl)pyridin-1-ium
CID 140827979

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine (CID 159117597) is 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine is Cc1ccc(-c2cc3oc4ccncc4c3cc2C)[n+](C)c1.
What is the InChIKey of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is GUEYZZSINFPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2O/c1-12-4-5-17(21(3)11-12)14-9-19-15(8-13(14)2)16-10-20-7-6-18(16)22-19/h4-11H,1-3H3/q+1.
What are the key properties of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine?
7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 289.36 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 159117597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).