oxolan-3-yl 5-aminopyridine-2-carboxylate

C10H12N2O3 — CID 81316831

IUPACoxolan-3-yl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OC2CCOC2)nc1
InChIInChI=1S/C10H12N2O3/c11-7-1-2-9(12-5-7)10(13)15-8-3-4-14-6-8/h1-2,5,8H,3-4,6,11H2
InChIKeyXMPZTMKXPSAQIJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.61
Rot. Bonds2

About oxolan-3-yl 5-aminopyridine-2-carboxylate

oxolan-3-yl 5-aminopyridine-2-carboxylate (PubChem CID 81316831) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is oxolan-3-yl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 5-aminopyridine-2-carboxylate
PubChem CID81316831
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameoxolan-3-yl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OC2CCOC2)nc1
InChIInChI=1S/C10H12N2O3/c11-7-1-2-9(12-5-7)10(13)15-8-3-4-14-6-8/h1-2,5,8H,3-4,6,11H2
InChIKeyXMPZTMKXPSAQIJ-UHFFFAOYSA-N
XLogP0.61
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 5-aminopyridine-2-carboxylate?
The IUPAC name of oxolan-3-yl 5-aminopyridine-2-carboxylate (CID 81316831) is oxolan-3-yl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for oxolan-3-yl 5-aminopyridine-2-carboxylate?
The canonical SMILES for oxolan-3-yl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OC2CCOC2)nc1.
What is the InChIKey of oxolan-3-yl 5-aminopyridine-2-carboxylate?
The InChIKey is XMPZTMKXPSAQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-7-1-2-9(12-5-7)10(13)15-8-3-4-14-6-8/h1-2,5,8H,3-4,6,11H2.
What are the key properties of oxolan-3-yl 5-aminopyridine-2-carboxylate?
oxolan-3-yl 5-aminopyridine-2-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81316831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).