1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride

C8H6ClN3O4S — CID 50988977

IUPAC1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Cl)cnc21
InChIInChI=1S/C8H6ClN3O4S/c1-12-6-5(7(13)11-8(12)14)2-4(3-10-6)17(9,15)16/h2-3H,1H3,(H,11,13,14)
InChIKeyFHJPNZYMEGEHKE-UHFFFAOYSA-N
MW275.67 g/mol
LogP-0.45
Rot. Bonds1

About 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride

1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride (PubChem CID 50988977) has the molecular formula C8H6ClN3O4S and a molecular weight of 275.67 g/mol. Its IUPAC name is 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
PubChem CID50988977
Molecular FormulaC8H6ClN3O4S
Molecular Weight275.67 g/mol
Exact Mass274.98
IUPAC Name1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Cl)cnc21
InChIInChI=1S/C8H6ClN3O4S/c1-12-6-5(7(13)11-8(12)14)2-4(3-10-6)17(9,15)16/h2-3H,1H3,(H,11,13,14)
InChIKeyFHJPNZYMEGEHKE-UHFFFAOYSA-N
XLogP-0.45
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride?
The IUPAC name of 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride (CID 50988977) is 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride.
What is the SMILES notation for 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride?
The canonical SMILES for 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride is Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Cl)cnc21.
What is the InChIKey of 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride?
The InChIKey is FHJPNZYMEGEHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O4S/c1-12-6-5(7(13)11-8(12)14)2-4(3-10-6)17(9,15)16/h2-3H,1H3,(H,11,13,14).
What are the key properties of 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride?
1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride has a molecular weight of 275.67 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride is sourced from PubChem (CID 50988977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).