methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate

C11H13NO4 — CID 177196861

IUPACmethyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cncc(O[C@@H]2CCOC2)c1
InChIInChI=1S/C11H13NO4/c1-14-11(13)8-4-10(6-12-5-8)16-9-2-3-15-7-9/h4-6,9H,2-3,7H2,1H3/t9-/m1/s1
InChIKeyPVKCXTJGPNPNHJ-SECBINFHSA-N
MW223.23 g/mol
LogP1.04
Rot. Bonds3

About methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate

methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate (PubChem CID 177196861) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate
PubChem CID177196861
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cncc(O[C@@H]2CCOC2)c1
InChIInChI=1S/C11H13NO4/c1-14-11(13)8-4-10(6-12-5-8)16-9-2-3-15-7-9/h4-6,9H,2-3,7H2,1H3/t9-/m1/s1
InChIKeyPVKCXTJGPNPNHJ-SECBINFHSA-N
XLogP1.04
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate (CID 177196861) is methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate is COC(=O)c1cncc(O[C@@H]2CCOC2)c1.
What is the InChIKey of methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate?
The InChIKey is PVKCXTJGPNPNHJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-14-11(13)8-4-10(6-12-5-8)16-9-2-3-15-7-9/h4-6,9H,2-3,7H2,1H3/t9-/m1/s1.
What are the key properties of methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate?
methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 177196861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).