5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

C18H14N2O — CID 161216048

IUPAC5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2cc(C)c3c(c2)oc2ncccc23)nc1
InChIInChI=1S/C18H14N2O/c1-11-5-6-15(20-10-11)13-8-12(2)17-14-4-3-7-19-18(14)21-16(17)9-13/h3-10H,1-2H3
InChIKeyJTDGXTSGICSZIL-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.66
Rot. Bonds1

About 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 161216048) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID161216048
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2cc(C)c3c(c2)oc2ncccc23)nc1
InChIInChI=1S/C18H14N2O/c1-11-5-6-15(20-10-11)13-8-12(2)17-14-4-3-7-19-18(14)21-16(17)9-13/h3-10H,1-2H3
InChIKeyJTDGXTSGICSZIL-UHFFFAOYSA-N
XLogP4.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 161216048) is 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2cc(C)c3c(c2)oc2ncccc23)nc1.
What is the InChIKey of 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is JTDGXTSGICSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-11-5-6-15(20-10-11)13-8-12(2)17-14-4-3-7-19-18(14)21-16(17)9-13/h3-10H,1-2H3.
What are the key properties of 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 274.32 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 161216048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).