6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

C8H6FN3OS — CID 22134704

IUPAC6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(F)c(=O)[nH]c2n1
InChIInChI=1S/C8H6FN3OS/c1-14-8-10-3-4-2-5(9)7(13)11-6(4)12-8/h2-3H,1H3,(H,10,11,12,13)
InChIKeyHEXUGCQBLSDFMP-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.18
Rot. Bonds1

About 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 22134704) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID22134704
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(F)c(=O)[nH]c2n1
InChIInChI=1S/C8H6FN3OS/c1-14-8-10-3-4-2-5(9)7(13)11-6(4)12-8/h2-3H,1H3,(H,10,11,12,13)
InChIKeyHEXUGCQBLSDFMP-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 22134704) is 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(F)c(=O)[nH]c2n1.
What is the InChIKey of 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HEXUGCQBLSDFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c1-14-8-10-3-4-2-5(9)7(13)11-6(4)12-8/h2-3H,1H3,(H,10,11,12,13).
What are the key properties of 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 211.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22134704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).