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

C9H5ClF3N3O — CID 155463798

IUPAC6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(C(F)(F)F)c(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C9H5ClF3N3O/c1-3-14-7-4(8(17)15-3)2-5(10)6(16-7)9(11,12)13/h2H,1H3,(H,14,15,16,17)
InChIKeyKTMXEQUCFSDXTF-UHFFFAOYSA-N
MW263.61 g/mol
LogP2.30
Rot. Bonds

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

6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 155463798) has the molecular formula C9H5ClF3N3O and a molecular weight of 263.61 g/mol. Its IUPAC name is 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID155463798
Molecular FormulaC9H5ClF3N3O
Molecular Weight263.61 g/mol
Exact Mass263.01
IUPAC Name6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(C(F)(F)F)c(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C9H5ClF3N3O/c1-3-14-7-4(8(17)15-3)2-5(10)6(16-7)9(11,12)13/h2H,1H3,(H,14,15,16,17)
InChIKeyKTMXEQUCFSDXTF-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 155463798) is 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc(C(F)(F)F)c(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KTMXEQUCFSDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O/c1-3-14-7-4(8(17)15-3)2-5(10)6(16-7)9(11,12)13/h2H,1H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 263.61 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 155463798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).