oxolan-3-yl 6-aminopyridine-3-carboxylate

C10H12N2O3 — CID 63557463

IUPACoxolan-3-yl 6-aminopyridine-3-carboxylate
SMILESNc1ccc(C(=O)OC2CCOC2)cn1
InChIInChI=1S/C10H12N2O3/c11-9-2-1-7(5-12-9)10(13)15-8-3-4-14-6-8/h1-2,5,8H,3-4,6H2,(H2,11,12)
InChIKeySLNBKCJZPKGFHO-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.61
Rot. Bonds2

About oxolan-3-yl 6-aminopyridine-3-carboxylate

oxolan-3-yl 6-aminopyridine-3-carboxylate (PubChem CID 63557463) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is oxolan-3-yl 6-aminopyridine-3-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 6-aminopyridine-3-carboxylate
PubChem CID63557463
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameoxolan-3-yl 6-aminopyridine-3-carboxylate
SMILESNc1ccc(C(=O)OC2CCOC2)cn1
InChIInChI=1S/C10H12N2O3/c11-9-2-1-7(5-12-9)10(13)15-8-3-4-14-6-8/h1-2,5,8H,3-4,6H2,(H2,11,12)
InChIKeySLNBKCJZPKGFHO-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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Related Compounds

oxolan-3-yl 4-aminobenzoate
CID 63558656
oxolan-3-yl 5-aminopyridine-2-carboxylate
CID 81316831
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-yl 4-fluorobenzoate
CID 63663417
(3,5-dimethylcyclohexyl) 6-aminopyridine-3-carboxylate
CID 64732823
[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
CID 130684136
oxolan-3-yl 3,4-dimethylbenzoate
CID 130399833
[(3S)-oxolan-3-yl] 4-(1,2,4-triazol-4-yl)benzoate
CID 86819658
oxolan-3-yl 4-(2-hydroxyethylamino)benzoate
CID 55212550
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate
CID 81099251
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 6-aminopyridine-3-carboxylate?
The IUPAC name of oxolan-3-yl 6-aminopyridine-3-carboxylate (CID 63557463) is oxolan-3-yl 6-aminopyridine-3-carboxylate.
What is the SMILES notation for oxolan-3-yl 6-aminopyridine-3-carboxylate?
The canonical SMILES for oxolan-3-yl 6-aminopyridine-3-carboxylate is Nc1ccc(C(=O)OC2CCOC2)cn1.
What is the InChIKey of oxolan-3-yl 6-aminopyridine-3-carboxylate?
The InChIKey is SLNBKCJZPKGFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9-2-1-7(5-12-9)10(13)15-8-3-4-14-6-8/h1-2,5,8H,3-4,6H2,(H2,11,12).
What are the key properties of oxolan-3-yl 6-aminopyridine-3-carboxylate?
oxolan-3-yl 6-aminopyridine-3-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 6-aminopyridine-3-carboxylate is sourced from PubChem (CID 63557463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).