2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium

C19H16NO+ — CID 90880561

IUPAC2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCc1ccccc1-c1c2c(cc[n+]1C)oc1ccccc12
InChIInChI=1S/C19H16NO/c1-13-7-3-4-8-14(13)19-18-15-9-5-6-10-16(15)21-17(18)11-12-20(19)2/h3-12H,1-2H3/q+1
InChIKeyUJWJHSSBEDMZPW-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.39
Rot. Bonds1

About 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium

2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium (PubChem CID 90880561) has the molecular formula C19H16NO+ and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
PubChem CID90880561
Molecular FormulaC19H16NO+
Molecular Weight274.34 g/mol
Exact Mass274.12
IUPAC Name2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCc1ccccc1-c1c2c(cc[n+]1C)oc1ccccc12
InChIInChI=1S/C19H16NO/c1-13-7-3-4-8-14(13)19-18-15-9-5-6-10-16(15)21-17(18)11-12-20(19)2/h3-12H,1-2H3/q+1
InChIKeyUJWJHSSBEDMZPW-UHFFFAOYSA-N
XLogP4.39
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.39
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

3-methyl-4-(2-methylphenyl)-[1]benzofuro[2,3-d]pyrimidin-3-ium
CID 155610288
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 123379683
4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium
CID 171459284
5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 123455228
16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
CID 146383205
2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
CID 171746810
1-methyl-2-(1-methyldibenzofuran-2-yl)-3-[4-phenyl-2,6-bis(trideuteriomethyl)phenyl]pyridin-1-ium
CID 140881358
2-(2-methylphenyl)dibenzofuran
CID 118188503
3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
CID 164756828
4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
CID 170244640
1,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium-2-thione
CID 174213138
3-methyl-2-(2-methylphenyl)-[1]benzofuro[3,2-g][1,3]benzoxazol-3-ium
CID 169309271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium?
The IUPAC name of 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium (CID 90880561) is 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium is Cc1ccccc1-c1c2c(cc[n+]1C)oc1ccccc12.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium?
The InChIKey is UJWJHSSBEDMZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO/c1-13-7-3-4-8-14(13)19-18-15-9-5-6-10-16(15)21-17(18)11-12-20(19)2/h3-12H,1-2H3/q+1.
What are the key properties of 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium?
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium has a molecular weight of 274.34 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium is sourced from PubChem (CID 90880561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).