oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate

C11H12ClNO3 — CID 60704497

IUPACoxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
SMILESO=C(OCC1CCCO1)c1ccnc(Cl)c1
InChIInChI=1S/C11H12ClNO3/c12-10-6-8(3-4-13-10)11(14)16-7-9-2-1-5-15-9/h3-4,6,9H,1-2,5,7H2
InChIKeyMSCZSADBSBZSOR-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.07
Rot. Bonds3

About oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate

oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate (PubChem CID 60704497) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
PubChem CID60704497
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Nameoxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
SMILESO=C(OCC1CCCO1)c1ccnc(Cl)c1
InChIInChI=1S/C11H12ClNO3/c12-10-6-8(3-4-13-10)11(14)16-7-9-2-1-5-15-9/h3-4,6,9H,1-2,5,7H2
InChIKeyMSCZSADBSBZSOR-UHFFFAOYSA-N
XLogP2.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
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 3-aminopyrazine-2-carboxylate
CID 60730655
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate
CID 60721262
oxolan-2-ylmethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 42915424

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate (CID 60704497) is oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate is O=C(OCC1CCCO1)c1ccnc(Cl)c1.
What is the InChIKey of oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate?
The InChIKey is MSCZSADBSBZSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-10-6-8(3-4-13-10)11(14)16-7-9-2-1-5-15-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate?
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate has a molecular weight of 241.67 g/mol, XLogP of 2.07, 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-chloropyridine-4-carboxylate is sourced from PubChem (CID 60704497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).