ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate

C10H13ClN2O2 — CID 62006591

IUPACethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-3-15-9(14)7-13(2)10-8(11)5-4-6-12-10/h4-6H,3,7H2,1-2H3
InChIKeyOAFIOJLCGQNVMM-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate

ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate (PubChem CID 62006591) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
PubChem CID62006591
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Nameethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-3-15-9(14)7-13(2)10-8(11)5-4-6-12-10/h4-6H,3,7H2,1-2H3
InChIKeyOAFIOJLCGQNVMM-UHFFFAOYSA-N
XLogP1.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
CID 114599518
ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
CID 113371239
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429
ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
CID 62005398
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
CID 171623851
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 2-(3-chloro-2-cyano-N-methylanilino)acetate
CID 62496387
N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 60870040
ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
CID 66327197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate (CID 62006591) is ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate is CCOC(=O)CN(C)c1ncccc1Cl.
What is the InChIKey of ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate?
The InChIKey is OAFIOJLCGQNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-3-15-9(14)7-13(2)10-8(11)5-4-6-12-10/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate?
ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate has a molecular weight of 228.68 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate is sourced from PubChem (CID 62006591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).