oxolan-2-ylmethyl pyridine-3-carboxylate

C11H13NO3 — CID 6260

IUPACoxolan-2-ylmethyl pyridine-3-carboxylate
SMILESO=C(OCC1CCCO1)c1cccnc1
InChIInChI=1S/C11H13NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1,3,5,7,10H,2,4,6,8H2
InChIKeyRQAITHJHUFFEIV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.42
Rot. Bonds3

About oxolan-2-ylmethyl pyridine-3-carboxylate

oxolan-2-ylmethyl pyridine-3-carboxylate (PubChem CID 6260) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is oxolan-2-ylmethyl pyridine-3-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl pyridine-3-carboxylate
PubChem CID6260
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameoxolan-2-ylmethyl pyridine-3-carboxylate
SMILESO=C(OCC1CCCO1)c1cccnc1
InChIInChI=1S/C11H13NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1,3,5,7,10H,2,4,6,8H2
InChIKeyRQAITHJHUFFEIV-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 pyridine-4-carboxylate
CID 533036
(5-hydroxyoxolan-2-yl)methyl pyridine-3-carboxylate
CID 169177178
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
[(3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate
CID 170219804
(oxetan-2-ylmethylamino) pyridine-3-carboxylate
CID 166709002
oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
CID 115645384
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
CID 78888195

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl pyridine-3-carboxylate?
The IUPAC name of oxolan-2-ylmethyl pyridine-3-carboxylate (CID 6260) is oxolan-2-ylmethyl pyridine-3-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl pyridine-3-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl pyridine-3-carboxylate is O=C(OCC1CCCO1)c1cccnc1.
What is the InChIKey of oxolan-2-ylmethyl pyridine-3-carboxylate?
The InChIKey is RQAITHJHUFFEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1,3,5,7,10H,2,4,6,8H2.
What are the key properties of oxolan-2-ylmethyl pyridine-3-carboxylate?
oxolan-2-ylmethyl pyridine-3-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-3-carboxylate is sourced from PubChem (CID 6260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).