11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C14H8FN5O — CID 25251770

IUPAC11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1-c1ccccc1F
InChIInChI=1S/C14H8FN5O/c15-10-3-1-2-4-12(10)19-6-5-11-9(13(19)21)7-16-14-17-8-18-20(11)14/h1-8H
InChIKeyJVJNZXGZIQAUMM-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.57
Rot. Bonds1

About 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 25251770) has the molecular formula C14H8FN5O and a molecular weight of 281.25 g/mol. Its IUPAC name is 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID25251770
Molecular FormulaC14H8FN5O
Molecular Weight281.25 g/mol
Exact Mass281.07
IUPAC Name11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1-c1ccccc1F
InChIInChI=1S/C14H8FN5O/c15-10-3-1-2-4-12(10)19-6-5-11-9(13(19)21)7-16-14-17-8-18-20(11)14/h1-8H
InChIKeyJVJNZXGZIQAUMM-UHFFFAOYSA-N
XLogP1.57
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 25251770) is 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3ncnn3c2ccn1-c1ccccc1F.
What is the InChIKey of 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is JVJNZXGZIQAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5O/c15-10-3-1-2-4-12(10)19-6-5-11-9(13(19)21)7-16-14-17-8-18-20(11)14/h1-8H.
What are the key properties of 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 281.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-fluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 25251770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).