4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H5BrF3N3O — CID 178042813

IUPAC4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC(C(F)(F)F)c2c(Br)ncnc2N1
InChIInChI=1S/C8H5BrF3N3O/c9-6-5-3(8(10,11)12)1-4(16)15-7(5)14-2-13-6/h2-3H,1H2,(H,13,14,15,16)
InChIKeyXPEKDMRSRGTSOE-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.23
Rot. Bonds

About 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 178042813) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID178042813
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC(C(F)(F)F)c2c(Br)ncnc2N1
InChIInChI=1S/C8H5BrF3N3O/c9-6-5-3(8(10,11)12)1-4(16)15-7(5)14-2-13-6/h2-3H,1H2,(H,13,14,15,16)
InChIKeyXPEKDMRSRGTSOE-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 178042813) is 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CC(C(F)(F)F)c2c(Br)ncnc2N1.
What is the InChIKey of 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XPEKDMRSRGTSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-6-5-3(8(10,11)12)1-4(16)15-7(5)14-2-13-6/h2-3H,1H2,(H,13,14,15,16).
What are the key properties of 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 296.05 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 178042813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).