2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine

C15H9N3O — CID 70205602

IUPAC2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1cnc(-c2ccc3oc4ccccc4c3n2)nc1
InChIInChI=1S/C15H9N3O/c1-2-5-12-10(4-1)14-13(19-12)7-6-11(18-14)15-16-8-3-9-17-15/h1-9H
InChIKeyOHHAMIJMZUBHIF-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.44
Rot. Bonds1

About 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine

2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 70205602) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID70205602
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1cnc(-c2ccc3oc4ccccc4c3n2)nc1
InChIInChI=1S/C15H9N3O/c1-2-5-12-10(4-1)14-13(19-12)7-6-11(18-14)15-16-8-3-9-17-15/h1-9H
InChIKeyOHHAMIJMZUBHIF-UHFFFAOYSA-N
XLogP3.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140769
2-(1,6-naphthyridin-7-yl)-[1]benzofuro[3,2-b]pyridine
CID 168746362
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 153311745
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168746306
2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693041
chromeno[3,4-b]pyrazin-5-one
CID 691239
1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168746413
2,9-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050213
11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661744

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine (CID 70205602) is 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine is c1cnc(-c2ccc3oc4ccccc4c3n2)nc1.
What is the InChIKey of 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is OHHAMIJMZUBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c1-2-5-12-10(4-1)14-13(19-12)7-6-11(18-14)15-16-8-3-9-17-15/h1-9H.
What are the key properties of 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine?
2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 247.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 70205602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).