2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine

C17H19NO — CID 140899415

IUPAC2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine
SMILESCC1(C)Oc2c(-c3ccccn3)cccc2C1(C)C
InChIInChI=1S/C17H19NO/c1-16(2)13-9-7-8-12(14-10-5-6-11-18-14)15(13)19-17(16,3)4/h5-11H,1-4H3
InChIKeyXURWKHBDSOUQNL-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.20
Rot. Bonds1

About 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine

2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine (PubChem CID 140899415) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine.

Molecular Properties

Compound Name2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine
PubChem CID140899415
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine
SMILESCC1(C)Oc2c(-c3ccccn3)cccc2C1(C)C
InChIInChI=1S/C17H19NO/c1-16(2)13-9-7-8-12(14-10-5-6-11-18-14)15(13)19-17(16,3)4/h5-11H,1-4H3
InChIKeyXURWKHBDSOUQNL-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine
CID 167209344
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166
2,6-bis(2-pyridin-2-ylphenyl)phenol
CID 175876654
2-(2-methylphenyl)pyridine
CID 144596153
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
8-pyridin-2-ylquinoline
CID 10982041
2-(2-tert-butylphenyl)pyridine
CID 67807360
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
2-dibenzofuran-4-ylpyridine
CID 59500175
2-(2,2,12,12-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),4,6,8,14,16,18,20-octaen-8-yl)pyridine
CID 167317425
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine?
The IUPAC name of 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine (CID 140899415) is 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine.
What is the SMILES notation for 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine?
The canonical SMILES for 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine is CC1(C)Oc2c(-c3ccccn3)cccc2C1(C)C.
What is the InChIKey of 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine?
The InChIKey is XURWKHBDSOUQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-16(2)13-9-7-8-12(14-10-5-6-11-18-14)15(13)19-17(16,3)4/h5-11H,1-4H3.
What are the key properties of 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine?
2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine has a molecular weight of 253.34 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine is sourced from PubChem (CID 140899415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).