2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C24H13F5N2O — CID 90138452

IUPAC2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4c(F)c(F)c(F)c(F)c4F)ccn3)c(C)ccc12
InChIInChI=1S/C24H13F5N2O/c1-10-3-5-13-14-6-4-11(2)31-24(14)32-23(13)16(10)15-9-12(7-8-30-15)17-18(25)20(27)22(29)21(28)19(17)26/h3-9H,1-2H3
InChIKeyXEZYNVSOTHFKBX-UHFFFAOYSA-N
MW440.37 g/mol
LogP7.02
Rot. Bonds2

About 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138452) has the molecular formula C24H13F5N2O and a molecular weight of 440.37 g/mol. Its IUPAC name is 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID90138452
Molecular FormulaC24H13F5N2O
Molecular Weight440.37 g/mol
Exact Mass440.09
IUPAC Name2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4c(F)c(F)c(F)c(F)c4F)ccn3)c(C)ccc12
InChIInChI=1S/C24H13F5N2O/c1-10-3-5-13-14-6-4-11(2)31-24(14)32-23(13)16(10)15-9-12(7-8-30-15)17-18(25)20(27)22(29)21(28)19(17)26/h3-9H,1-2H3
InChIKeyXEZYNVSOTHFKBX-UHFFFAOYSA-N
XLogP7.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138333
8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121594
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90138337
2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine
CID 176956277
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-[4-(3,4-difluorophenyl)-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 123785520
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 90138452) is 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4c(F)c(F)c(F)c(F)c4F)ccn3)c(C)ccc12.
What is the InChIKey of 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XEZYNVSOTHFKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F5N2O/c1-10-3-5-13-14-6-4-11(2)31-24(14)32-23(13)16(10)15-9-12(7-8-30-15)17-18(25)20(27)22(29)21(28)19(17)26/h3-9H,1-2H3.
What are the key properties of 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 440.37 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).