6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride

C9H12ClNO4S — CID 112572758

IUPAC6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
SMILESCOCC(C)Oc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H12ClNO4S/c1-7(6-14-2)15-9-4-3-8(5-11-9)16(10,12)13/h3-5,7H,6H2,1-2H3
InChIKeySQYYUCYEIBAXMV-UHFFFAOYSA-N
MW265.72 g/mol
LogP1.42
Rot. Bonds5

About 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride

6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride (PubChem CID 112572758) has the molecular formula C9H12ClNO4S and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
PubChem CID112572758
Molecular FormulaC9H12ClNO4S
Molecular Weight265.72 g/mol
Exact Mass265.02
IUPAC Name6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
SMILESCOCC(C)Oc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H12ClNO4S/c1-7(6-14-2)15-9-4-3-8(5-11-9)16(10,12)13/h3-5,7H,6H2,1-2H3
InChIKeySQYYUCYEIBAXMV-UHFFFAOYSA-N
XLogP1.42
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride (CID 112572758) is 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride is COCC(C)Oc1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
The InChIKey is SQYYUCYEIBAXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO4S/c1-7(6-14-2)15-9-4-3-8(5-11-9)16(10,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride has a molecular weight of 265.72 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).