oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate

C11H11Cl2NO3 — CID 63841492

IUPACoxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
SMILESO=C(OCC1CCCO1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H11Cl2NO3/c12-9-4-7(5-10(13)14-9)11(15)17-6-8-2-1-3-16-8/h4-5,8H,1-3,6H2
InChIKeyYYRIHMMFGHWEKU-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.72
Rot. Bonds3

About oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate

oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 63841492) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
PubChem CID63841492
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Nameoxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
SMILESO=C(OCC1CCCO1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H11Cl2NO3/c12-9-4-7(5-10(13)14-9)11(15)17-6-8-2-1-3-16-8/h4-5,8H,1-3,6H2
InChIKeyYYRIHMMFGHWEKU-UHFFFAOYSA-N
XLogP2.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
cyclohexylmethyl 2,6-dichloropyridine-4-carboxylate
CID 60716775
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl 3-chloro-4-methyl-5-sulfamoylbenzoate
CID 65379651
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166334911
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate
CID 60721262
oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate (CID 63841492) is oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate is O=C(OCC1CCCO1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate?
The InChIKey is YYRIHMMFGHWEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-9-4-7(5-10(13)14-9)11(15)17-6-8-2-1-3-16-8/h4-5,8H,1-3,6H2.
What are the key properties of oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate?
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 276.12 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 63841492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).