2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate

C11H13FN2O3 — CID 130269942

IUPAC2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate
SMILESNC1COC1CCOC(=O)c1ncccc1F
InChIInChI=1S/C11H13FN2O3/c12-7-2-1-4-14-10(7)11(15)16-5-3-9-8(13)6-17-9/h1-2,4,8-9H,3,5-6,13H2
InChIKeyLANAWENCECTTFQ-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.49
Rot. Bonds4

About 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate

2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate (PubChem CID 130269942) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate
PubChem CID130269942
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate
SMILESNC1COC1CCOC(=O)c1ncccc1F
InChIInChI=1S/C11H13FN2O3/c12-7-2-1-4-14-10(7)11(15)16-5-3-9-8(13)6-17-9/h1-2,4,8-9H,3,5-6,13H2
InChIKeyLANAWENCECTTFQ-UHFFFAOYSA-N
XLogP0.49
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
CID 140752568
CID 140752568
2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate
CID 157252746
(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
CID 167764210
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
CID 154824707
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
CID 103714850
(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 110474765

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate?
The IUPAC name of 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate (CID 130269942) is 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate.
What is the SMILES notation for 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate?
The canonical SMILES for 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate is NC1COC1CCOC(=O)c1ncccc1F.
What is the InChIKey of 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate?
The InChIKey is LANAWENCECTTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-2-1-4-14-10(7)11(15)16-5-3-9-8(13)6-17-9/h1-2,4,8-9H,3,5-6,13H2.
What are the key properties of 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate?
2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate has a molecular weight of 240.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 130269942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).