ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate

C10H16N2O2 — CID 70301650

IUPACethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate
SMILESCCOC(=O)CN1CC=CC=C1CN
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)8-12-6-4-3-5-9(12)7-11/h3-5H,2,6-8,11H2,1H3
InChIKeySLDNMGKVWVCNKA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.26
Rot. Bonds4

About ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate

ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate (PubChem CID 70301650) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate
PubChem CID70301650
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate
SMILESCCOC(=O)CN1CC=CC=C1CN
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)8-12-6-4-3-5-9(12)7-11/h3-5H,2,6-8,11H2,1H3
InChIKeySLDNMGKVWVCNKA-UHFFFAOYSA-N
XLogP0.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate (CID 70301650) is ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate is CCOC(=O)CN1CC=CC=C1CN.
What is the InChIKey of ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate?
The InChIKey is SLDNMGKVWVCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-10(13)8-12-6-4-3-5-9(12)7-11/h3-5H,2,6-8,11H2,1H3.
What are the key properties of ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate?
ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate has a molecular weight of 196.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(aminomethyl)-2H-pyridin-1-yl]acetate is sourced from PubChem (CID 70301650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).