1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H10Cl2N2O3S — CID 168711863

IUPAC1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1cc(N2CC(S(=O)(=O)Cl)CC2=O)cc(Cl)n1
InChIInChI=1S/C10H10Cl2N2O3S/c1-6-2-7(3-9(11)13-6)14-5-8(4-10(14)15)18(12,16)17/h2-3,8H,4-5H2,1H3
InChIKeyKTBHNWYIFQUXAD-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.72
Rot. Bonds2

About 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711863) has the molecular formula C10H10Cl2N2O3S and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711863
Molecular FormulaC10H10Cl2N2O3S
Molecular Weight309.17 g/mol
Exact Mass307.98
IUPAC Name1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1cc(N2CC(S(=O)(=O)Cl)CC2=O)cc(Cl)n1
InChIInChI=1S/C10H10Cl2N2O3S/c1-6-2-7(3-9(11)13-6)14-5-8(4-10(14)15)18(12,16)17/h2-3,8H,4-5H2,1H3
InChIKeyKTBHNWYIFQUXAD-UHFFFAOYSA-N
XLogP1.72
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711852
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711992
1-(2-chloro-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712451

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711863) is 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is Cc1cc(N2CC(S(=O)(=O)Cl)CC2=O)cc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is KTBHNWYIFQUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3S/c1-6-2-7(3-9(11)13-6)14-5-8(4-10(14)15)18(12,16)17/h2-3,8H,4-5H2,1H3.
What are the key properties of 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 309.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).