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

C9H6F3N3O — CID 137176452

IUPAC6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cnc2nc(C(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C9H6F3N3O/c1-4-2-5-6(13-3-4)14-8(9(10,11)12)15-7(5)16/h2-3H,1H3,(H,13,14,15,16)
InChIKeyXPQIBDAFKHOJHX-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.65
Rot. Bonds

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

6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137176452) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137176452
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cnc2nc(C(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C9H6F3N3O/c1-4-2-5-6(13-3-4)14-8(9(10,11)12)15-7(5)16/h2-3H,1H3,(H,13,14,15,16)
InChIKeyXPQIBDAFKHOJHX-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137176452) is 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cnc2nc(C(F)(F)F)[nH]c(=O)c2c1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XPQIBDAFKHOJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-4-2-5-6(13-3-4)14-8(9(10,11)12)15-7(5)16/h2-3H,1H3,(H,13,14,15,16).
What are the key properties of 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 229.16 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137176452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).