6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

C9H8FN3O3S — CID 21073456

IUPAC6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2[nH]c(=O)c(F)cc12
InChIInChI=1S/C9H8FN3O3S/c1-4-5-3-6(10)8(14)12-7(5)13-9(11-4)17(2,15)16/h3H,1-2H3,(H,11,12,13,14)
InChIKeyFVPXEDVUNNDJRB-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.17
Rot. Bonds1

About 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 21073456) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID21073456
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2[nH]c(=O)c(F)cc12
InChIInChI=1S/C9H8FN3O3S/c1-4-5-3-6(10)8(14)12-7(5)13-9(11-4)17(2,15)16/h3H,1-2H3,(H,11,12,13,14)
InChIKeyFVPXEDVUNNDJRB-UHFFFAOYSA-N
XLogP0.17
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 21073456) is 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(S(C)(=O)=O)nc2[nH]c(=O)c(F)cc12.
What is the InChIKey of 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FVPXEDVUNNDJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c1-4-5-3-6(10)8(14)12-7(5)13-9(11-4)17(2,15)16/h3H,1-2H3,(H,11,12,13,14).
What are the key properties of 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 257.25 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 21073456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).