6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C15H9N3O — CID 171768052

IUPAC6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2cncc3c2oc2ncccc23)nc1
InChIInChI=1S/C15H9N3O/c1-2-6-17-13(5-1)12-9-16-8-11-10-4-3-7-18-15(10)19-14(11)12/h1-9H
InChIKeyMSIVWQGHJRLBEF-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.44
Rot. Bonds1

About 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 171768052) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID171768052
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2cncc3c2oc2ncccc23)nc1
InChIInChI=1S/C15H9N3O/c1-2-6-17-13(5-1)12-9-16-8-11-10-4-3-7-18-15(10)19-14(11)12/h1-9H
InChIKeyMSIVWQGHJRLBEF-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-dibenzofuran-4-ylpyridine
CID 59500175
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridine-4-carbonitrile
CID 154615719
8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 171721165
4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140758
4-(4-ethylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;6-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 158435585
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
4-pyridin-2-ylxanthen-9-one
CID 167260109
trimethyl-(3-pyridin-2-yl-4-pyridinyl)silane
CID 139787163
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
7-methyl-8-(1-methyl-5-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140777913

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 171768052) is 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc(-c2cncc3c2oc2ncccc23)nc1.
What is the InChIKey of 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is MSIVWQGHJRLBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c1-2-6-17-13(5-1)12-9-16-8-11-10-4-3-7-18-15(10)19-14(11)12/h1-9H.
What are the key properties of 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene 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 6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 171768052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).