13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid

C14H8FN3O3 — CID 19691054

IUPAC13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid
SMILESO=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1ccc(F)cc1C3
InChIInChI=1S/C14H8FN3O3/c15-7-1-2-8-6(3-7)4-10-11(8)17-13(19)12-16-9(14(20)21)5-18(10)12/h1-3,5H,4H2,(H,17,19)(H,20,21)
InChIKeyHRXSPFMEEBCSHQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.43
Rot. Bonds1

About 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid

13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid (PubChem CID 19691054) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid.

Molecular Properties

Compound Name13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid
PubChem CID19691054
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC Name13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid
SMILESO=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1ccc(F)cc1C3
InChIInChI=1S/C14H8FN3O3/c15-7-1-2-8-6(3-7)4-10-11(8)17-13(19)12-16-9(14(20)21)5-18(10)12/h1-3,5H,4H2,(H,17,19)(H,20,21)
InChIKeyHRXSPFMEEBCSHQ-UHFFFAOYSA-N
XLogP1.43
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid?
The IUPAC name of 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid (CID 19691054) is 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid.
What is the SMILES notation for 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid?
The canonical SMILES for 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid is O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1ccc(F)cc1C3.
What is the InChIKey of 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid?
The InChIKey is HRXSPFMEEBCSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-7-1-2-8-6(3-7)4-10-11(8)17-13(19)12-16-9(14(20)21)5-18(10)12/h1-3,5H,4H2,(H,17,19)(H,20,21).
What are the key properties of 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid?
13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid has a molecular weight of 285.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-4-carboxylic acid is sourced from PubChem (CID 19691054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).