6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

C8H6BrN3O3S — CID 172528149

IUPAC6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2cc(Br)c(=O)[nH]c2n1
InChIInChI=1S/C8H6BrN3O3S/c1-16(14,15)8-10-3-4-2-5(9)7(13)11-6(4)12-8/h2-3H,1H3,(H,10,11,12,13)
InChIKeyYEIOHBXZHGTKSG-UHFFFAOYSA-N
MW304.13 g/mol
LogP0.48
Rot. Bonds1

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

6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 172528149) has the molecular formula C8H6BrN3O3S and a molecular weight of 304.13 g/mol. Its IUPAC name is 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID172528149
Molecular FormulaC8H6BrN3O3S
Molecular Weight304.13 g/mol
Exact Mass302.93
IUPAC Name6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2cc(Br)c(=O)[nH]c2n1
InChIInChI=1S/C8H6BrN3O3S/c1-16(14,15)8-10-3-4-2-5(9)7(13)11-6(4)12-8/h2-3H,1H3,(H,10,11,12,13)
InChIKeyYEIOHBXZHGTKSG-UHFFFAOYSA-N
XLogP0.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 172528149) is 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)c1ncc2cc(Br)c(=O)[nH]c2n1.
What is the InChIKey of 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YEIOHBXZHGTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O3S/c1-16(14,15)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-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 304.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 172528149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).