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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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).