6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium

C17H18NO+ — CID 166501216

IUPAC6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium
SMILESCc1cc(C)c(C)c(-c2c3occc3cc[n+]2C)c1
InChIInChI=1S/C17H18NO/c1-11-9-12(2)13(3)15(10-11)16-17-14(6-8-19-17)5-7-18(16)4/h5-10H,1-4H3/q+1
InChIKeyPRTUWVTZOVKYOG-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.85
Rot. Bonds1

About 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium

6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium (PubChem CID 166501216) has the molecular formula C17H18NO+ and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Name6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium
PubChem CID166501216
Molecular FormulaC17H18NO+
Molecular Weight252.34 g/mol
Exact Mass252.14
IUPAC Name6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium
SMILESCc1cc(C)c(C)c(-c2c3occc3cc[n+]2C)c1
InChIInChI=1S/C17H18NO/c1-11-9-12(2)13(3)15(10-11)16-17-14(6-8-19-17)5-7-18(16)4/h5-10H,1-4H3/q+1
InChIKeyPRTUWVTZOVKYOG-UHFFFAOYSA-N
XLogP3.85
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.85
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-methyl-6,7-di(propan-2-yl)-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 123915658
7-methyl-8-(2,3,5-trimethylphenyl)thieno[3,2-g]isoquinolin-7-ium
CID 176592451
cyclopropyl-dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637695
6-deuterio-2-methyl-1-[2-methyl-3,5-bis(trideuteriomethyl)phenyl]isoquinolin-2-ium
CID 155639104
triethyl-[3-methyl-4-(2,3,5-trimethylphenyl)benzo[f]isoquinolin-3-ium-8-yl]silane
CID 166015601
5-methyl-6-(2,3,5-trimethylphenyl)-1,8-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 140889657
6-isocyano-2-methyl-1-[2-methyl-3,5-bis(trideuteriomethyl)phenyl]isoquinolin-2-ium
CID 155639182
2-isocyano-2-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]propanenitrile
CID 166054833
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 161105923
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2,6-dimethylisoquinolin-2-ium
CID 155637639
3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
CID 164722064
9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-5-yl]carbazole
CID 171459011

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium?
The IUPAC name of 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium (CID 166501216) is 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium.
What is the SMILES notation for 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium?
The canonical SMILES for 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium is Cc1cc(C)c(C)c(-c2c3occc3cc[n+]2C)c1.
What is the InChIKey of 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium?
The InChIKey is PRTUWVTZOVKYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO/c1-11-9-12(2)13(3)15(10-11)16-17-14(6-8-19-17)5-7-18(16)4/h5-10H,1-4H3/q+1.
What are the key properties of 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium?
6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium has a molecular weight of 252.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium is sourced from PubChem (CID 166501216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).