oxolan-2-ylmethyl pyridine-4-carboxylate

C11H13NO3 — CID 533036

IUPACoxolan-2-ylmethyl pyridine-4-carboxylate
SMILESO=C(OCC1CCCO1)c1ccncc1
InChIInChI=1S/C11H13NO3/c13-11(9-3-5-12-6-4-9)15-8-10-2-1-7-14-10/h3-6,10H,1-2,7-8H2
InChIKeyUALDAZFAVQFVDG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.42
Rot. Bonds3

About oxolan-2-ylmethyl pyridine-4-carboxylate

oxolan-2-ylmethyl pyridine-4-carboxylate (PubChem CID 533036) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is oxolan-2-ylmethyl pyridine-4-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl pyridine-4-carboxylate
PubChem CID533036
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameoxolan-2-ylmethyl pyridine-4-carboxylate
SMILESO=C(OCC1CCCO1)c1ccncc1
InChIInChI=1S/C11H13NO3/c13-11(9-3-5-12-6-4-9)15-8-10-2-1-7-14-10/h3-6,10H,1-2,7-8H2
InChIKeyUALDAZFAVQFVDG-UHFFFAOYSA-N
XLogP1.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] pyridine-4-carboxylate
CID 7783951
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2R)-oxolan-2-yl]methyl 4-nitrobenzoate
CID 36688887
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
CID 115645384
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl pyridine-4-carboxylate?
The IUPAC name of oxolan-2-ylmethyl pyridine-4-carboxylate (CID 533036) is oxolan-2-ylmethyl pyridine-4-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl pyridine-4-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl pyridine-4-carboxylate is O=C(OCC1CCCO1)c1ccncc1.
What is the InChIKey of oxolan-2-ylmethyl pyridine-4-carboxylate?
The InChIKey is UALDAZFAVQFVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(9-3-5-12-6-4-9)15-8-10-2-1-7-14-10/h3-6,10H,1-2,7-8H2.
What are the key properties of oxolan-2-ylmethyl pyridine-4-carboxylate?
oxolan-2-ylmethyl pyridine-4-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl pyridine-4-carboxylate is sourced from PubChem (CID 533036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).