ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate

C11H16N2O3 — CID 155937838

IUPACethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(OCC(C)N)n1
InChIInChI=1S/C11H16N2O3/c1-3-15-11(14)9-5-4-6-10(13-9)16-7-8(2)12/h4-6,8H,3,7,12H2,1-2H3
InChIKeyKACBYNXRYRKEIU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.98
Rot. Bonds5

About ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate

ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate (PubChem CID 155937838) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
PubChem CID155937838
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(OCC(C)N)n1
InChIInChI=1S/C11H16N2O3/c1-3-15-11(14)9-5-4-6-10(13-9)16-7-8(2)12/h4-6,8H,3,7,12H2,1-2H3
InChIKeyKACBYNXRYRKEIU-UHFFFAOYSA-N
XLogP0.98
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-aminopropoxy)pyridine-2-carboxylic acid
CID 154848823
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
methyl 6-[2-ethoxy-2-(2-iodoethoxy)ethoxy]pyridine-2-carboxylate
CID 175371856
ethyl 5-(2-aminopropyl)pyridine-2-carboxylate
CID 15067117
ethyl pyridine-2-carboxylate
CID 17307
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
ethyl 6-(4-bromo-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171892688
2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate
CID 3335143
lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol
CID 158673964
ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864733

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate (CID 155937838) is ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate is CCOC(=O)c1cccc(OCC(C)N)n1.
What is the InChIKey of ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate?
The InChIKey is KACBYNXRYRKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-15-11(14)9-5-4-6-10(13-9)16-7-8(2)12/h4-6,8H,3,7,12H2,1-2H3.
What are the key properties of ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate?
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate is sourced from PubChem (CID 155937838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).