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

C14H9F2N3OS — CID 141165340

IUPAC8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C14H9F2N3OS/c1-21-14-17-7-8-5-6-11(20)19(13(8)18-14)12-9(15)3-2-4-10(12)16/h2-7H,1H3
InChIKeyJLEAKQXIYPWOCL-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.78
Rot. Bonds2

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

8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 141165340) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID141165340
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C14H9F2N3OS/c1-21-14-17-7-8-5-6-11(20)19(13(8)18-14)12-9(15)3-2-4-10(12)16/h2-7H,1H3
InChIKeyJLEAKQXIYPWOCL-UHFFFAOYSA-N
XLogP2.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 141165340) is 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JLEAKQXIYPWOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c1-21-14-17-7-8-5-6-11(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-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 305.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141165340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).