5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine

C11H13ClN2O3S — CID 122248574

IUPAC5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
SMILESO=S(=O)(C1CC1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C11H13ClN2O3S/c12-8-1-4-11(13-5-8)17-9-6-14(7-9)18(15,16)10-2-3-10/h1,4-5,9-10H,2-3,6-7H2
InChIKeyBMVCQNHRAGOUNF-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.29
Rot. Bonds4

About 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine

5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine (PubChem CID 122248574) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine.

Molecular Properties

Compound Name5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
PubChem CID122248574
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
SMILESO=S(=O)(C1CC1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C11H13ClN2O3S/c12-8-1-4-11(13-5-8)17-9-6-14(7-9)18(15,16)10-2-3-10/h1,4-5,9-10H,2-3,6-7H2
InChIKeyBMVCQNHRAGOUNF-UHFFFAOYSA-N
XLogP1.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine?
The IUPAC name of 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine (CID 122248574) is 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine.
What is the SMILES notation for 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine?
The canonical SMILES for 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine is O=S(=O)(C1CC1)N1CC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine?
The InChIKey is BMVCQNHRAGOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c12-8-1-4-11(13-5-8)17-9-6-14(7-9)18(15,16)10-2-3-10/h1,4-5,9-10H,2-3,6-7H2.
What are the key properties of 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine?
5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine has a molecular weight of 288.76 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine is sourced from PubChem (CID 122248574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).