8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C14H9F2N3O3S — CID 141165341

IUPAC8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C14H9F2N3O3S/c1-23(21,22)14-17-7-8-5-6-11(20)19(13(8)18-14)12-9(15)3-2-4-10(12)16/h2-7H,1H3
InChIKeyYVSWVJRPDIZJKV-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.46
Rot. Bonds2

About 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 141165341) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID141165341
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC Name8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C14H9F2N3O3S/c1-23(21,22)14-17-7-8-5-6-11(20)19(13(8)18-14)12-9(15)3-2-4-10(12)16/h2-7H,1H3
InChIKeyYVSWVJRPDIZJKV-UHFFFAOYSA-N
XLogP1.46
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 141165341) is 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)c1ncc2ccc(=O)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YVSWVJRPDIZJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c1-23(21,22)14-17-7-8-5-6-11(20)19(13(8)18-14)12-9(15)3-2-4-10(12)16/h2-7H,1H3.
What are the key properties of 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 337.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141165341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).