7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C14H8F3N3O2 — CID 11141313

IUPAC7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-6-9(7-4-2-1-3-5-7)18-11-10(8)12(21)20-13(22)19-11/h1-6H,(H2,18,19,20,21,22)
InChIKeyMLVVOWKKUORGGR-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.30
Rot. Bonds1

About 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11141313) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11141313
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-6-9(7-4-2-1-3-5-7)18-11-10(8)12(21)20-13(22)19-11/h1-6H,(H2,18,19,20,21,22)
InChIKeyMLVVOWKKUORGGR-UHFFFAOYSA-N
XLogP2.30
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 11141313) is 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MLVVOWKKUORGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)8-6-9(7-4-2-1-3-5-7)18-11-10(8)12(21)20-13(22)19-11/h1-6H,(H2,18,19,20,21,22).
What are the key properties of 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 307.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11141313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).