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

C14H18ClNO4 — CID 170351467

IUPAC3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol
SMILESCO[C@]1(c2cc(OC3CC(O)C3)cc(Cl)n2)CCOC1
InChIInChI=1S/C14H18ClNO4/c1-18-14(2-3-19-8-14)12-6-11(7-13(15)16-12)20-10-4-9(17)5-10/h6-7,9-10,17H,2-5,8H2,1H3/t9?,10?,14-/m1/s1
InChIKeyUVWRIIBOYXBISK-RPFQZYLTSA-N
MW299.75 g/mol
LogP1.90
Rot. Bonds4

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

3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol (PubChem CID 170351467) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol
PubChem CID170351467
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol
SMILESCO[C@]1(c2cc(OC3CC(O)C3)cc(Cl)n2)CCOC1
InChIInChI=1S/C14H18ClNO4/c1-18-14(2-3-19-8-14)12-6-11(7-13(15)16-12)20-10-4-9(17)5-10/h6-7,9-10,17H,2-5,8H2,1H3/t9?,10?,14-/m1/s1
InChIKeyUVWRIIBOYXBISK-RPFQZYLTSA-N
XLogP1.90
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol?
The IUPAC name of 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol (CID 170351467) is 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol is CO[C@]1(c2cc(OC3CC(O)C3)cc(Cl)n2)CCOC1.
What is the InChIKey of 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol?
The InChIKey is UVWRIIBOYXBISK-RPFQZYLTSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-18-14(2-3-19-8-14)12-6-11(7-13(15)16-12)20-10-4-9(17)5-10/h6-7,9-10,17H,2-5,8H2,1H3/t9?,10?,14-/m1/s1.
What are the key properties of 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol?
3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol has a molecular weight of 299.75 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol is sourced from PubChem (CID 170351467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).