10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione

C17H9F3N4O2 — CID 15192338

IUPAC10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c(=O)[nH]1
InChIInChI=1S/C17H9F3N4O2/c18-17(19,20)9-4-3-5-10(8-9)24-12-7-2-1-6-11(12)21-13-14(24)22-16(26)23-15(13)25/h1-8H,(H,23,25,26)
InChIKeyXHAOLTQKNINZTF-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.59
Rot. Bonds1

About 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione

10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione (PubChem CID 15192338) has the molecular formula C17H9F3N4O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
PubChem CID15192338
Molecular FormulaC17H9F3N4O2
Molecular Weight358.28 g/mol
Exact Mass358.07
IUPAC Name10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c(=O)[nH]1
InChIInChI=1S/C17H9F3N4O2/c18-17(19,20)9-4-3-5-10(8-9)24-12-7-2-1-6-11(12)21-13-14(24)22-16(26)23-15(13)25/h1-8H,(H,23,25,26)
InChIKeyXHAOLTQKNINZTF-UHFFFAOYSA-N
XLogP2.59
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione (CID 15192338) is 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione is O=c1nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c(=O)[nH]1.
What is the InChIKey of 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The InChIKey is XHAOLTQKNINZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O2/c18-17(19,20)9-4-3-5-10(8-9)24-12-7-2-1-6-11(12)21-13-14(24)22-16(26)23-15(13)25/h1-8H,(H,23,25,26).
What are the key properties of 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione has a molecular weight of 358.28 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 15192338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).