2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol

C12H16ClNO4 — CID 139464294

IUPAC2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol
SMILESCO[C@@]1(c2cc(OCCO)cc(Cl)n2)CCOC1
InChIInChI=1S/C12H16ClNO4/c1-16-12(2-4-17-8-12)10-6-9(18-5-3-15)7-11(13)14-10/h6-7,15H,2-5,8H2,1H3/t12-/m0/s1
InChIKeyQJNYZECCYPNSFJ-LBPRGKRZSA-N
MW273.72 g/mol
LogP1.37
Rot. Bonds5

About 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol

2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol (PubChem CID 139464294) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol
PubChem CID139464294
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol
SMILESCO[C@@]1(c2cc(OCCO)cc(Cl)n2)CCOC1
InChIInChI=1S/C12H16ClNO4/c1-16-12(2-4-17-8-12)10-6-9(18-5-3-15)7-11(13)14-10/h6-7,15H,2-5,8H2,1H3/t12-/m0/s1
InChIKeyQJNYZECCYPNSFJ-LBPRGKRZSA-N
XLogP1.37
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.37
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 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol (CID 139464294) is 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol is CO[C@@]1(c2cc(OCCO)cc(Cl)n2)CCOC1.
What is the InChIKey of 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol?
The InChIKey is QJNYZECCYPNSFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-16-12(2-4-17-8-12)10-6-9(18-5-3-15)7-11(13)14-10/h6-7,15H,2-5,8H2,1H3/t12-/m0/s1.
What are the key properties of 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol?
2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol has a molecular weight of 273.72 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-[(3R)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]ethanol is sourced from PubChem (CID 139464294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).