3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol

C13H12ClNO3 — CID 170351487

IUPAC3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol
SMILESOC1CC(Oc2cc(Cl)nc(-c3ccoc3)c2)C1
InChIInChI=1S/C13H12ClNO3/c14-13-6-11(18-10-3-9(16)4-10)5-12(15-13)8-1-2-17-7-8/h1-2,5-7,9-10,16H,3-4H2
InChIKeyIMHLEYDLCQQVQG-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.90
Rot. Bonds3

About 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol

3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol (PubChem CID 170351487) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol
PubChem CID170351487
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol
SMILESOC1CC(Oc2cc(Cl)nc(-c3ccoc3)c2)C1
InChIInChI=1S/C13H12ClNO3/c14-13-6-11(18-10-3-9(16)4-10)5-12(15-13)8-1-2-17-7-8/h1-2,5-7,9-10,16H,3-4H2
InChIKeyIMHLEYDLCQQVQG-UHFFFAOYSA-N
XLogP2.90
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol?
The IUPAC name of 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol (CID 170351487) is 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol is OC1CC(Oc2cc(Cl)nc(-c3ccoc3)c2)C1.
What is the InChIKey of 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol?
The InChIKey is IMHLEYDLCQQVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-13-6-11(18-10-3-9(16)4-10)5-12(15-13)8-1-2-17-7-8/h1-2,5-7,9-10,16H,3-4H2.
What are the key properties of 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol?
3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol has a molecular weight of 265.70 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-6-(furan-3-yl)-4-pyridinyl]oxy]cyclobutan-1-ol is sourced from PubChem (CID 170351487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).