6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one

C9H5BrF3N3O2 — CID 163365609

IUPAC6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OC(F)(F)F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C9H5BrF3N3O2/c1-3-14-6-4(7(17)15-3)2-5(10)8(16-6)18-9(11,12)13/h2H,1H3,(H,14,15,16,17)
InChIKeyUJYPIUKARWRLIX-UHFFFAOYSA-N
MW324.06 g/mol
LogP2.29
Rot. Bonds1

About 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one

6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 163365609) has the molecular formula C9H5BrF3N3O2 and a molecular weight of 324.06 g/mol. Its IUPAC name is 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID163365609
Molecular FormulaC9H5BrF3N3O2
Molecular Weight324.06 g/mol
Exact Mass322.95
IUPAC Name6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OC(F)(F)F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C9H5BrF3N3O2/c1-3-14-6-4(7(17)15-3)2-5(10)8(16-6)18-9(11,12)13/h2H,1H3,(H,14,15,16,17)
InChIKeyUJYPIUKARWRLIX-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 163365609) is 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc(OC(F)(F)F)c(Br)cc2c(=O)[nH]1.
What is the InChIKey of 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UJYPIUKARWRLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3N3O2/c1-3-14-6-4(7(17)15-3)2-5(10)8(16-6)18-9(11,12)13/h2H,1H3,(H,14,15,16,17).
What are the key properties of 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 324.06 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-7-(trifluoromethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 163365609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).