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

C10H7BrF3N3O2 — CID 163365640

IUPAC6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OCC(F)(F)F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H7BrF3N3O2/c1-4-15-7-5(8(18)16-4)2-6(11)9(17-7)19-3-10(12,13)14/h2H,3H2,1H3,(H,15,16,17,18)
InChIKeyAFKNGBVBXTUZDE-UHFFFAOYSA-N
MW338.08 g/mol
LogP2.33
Rot. Bonds2

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

6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 163365640) has the molecular formula C10H7BrF3N3O2 and a molecular weight of 338.08 g/mol. Its IUPAC name is 6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID163365640
Molecular FormulaC10H7BrF3N3O2
Molecular Weight338.08 g/mol
Exact Mass336.97
IUPAC Name6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OCC(F)(F)F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H7BrF3N3O2/c1-4-15-7-5(8(18)16-4)2-6(11)9(17-7)19-3-10(12,13)14/h2H,3H2,1H3,(H,15,16,17,18)
InChIKeyAFKNGBVBXTUZDE-UHFFFAOYSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 52.33
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-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 163365640) is 6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc(OCC(F)(F)F)c(Br)cc2c(=O)[nH]1.
What is the InChIKey of 6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AFKNGBVBXTUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O2/c1-4-15-7-5(8(18)16-4)2-6(11)9(17-7)19-3-10(12,13)14/h2H,3H2,1H3,(H,15,16,17,18).
What are the key properties of 6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 338.08 g/mol, XLogP of 2.33, 2 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-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 163365640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).