ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate

C9H11ClN2O2 — CID 58972926

IUPACethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1nc(N)ccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-2-14-9(13)5-7-6(10)3-4-8(11)12-7/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyPFLCWIITPRNGLE-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.42
Rot. Bonds3

About ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate

ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate (PubChem CID 58972926) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
PubChem CID58972926
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Nameethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1nc(N)ccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-2-14-9(13)5-7-6(10)3-4-8(11)12-7/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyPFLCWIITPRNGLE-UHFFFAOYSA-N
XLogP1.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 2-(4-aminopyrimidin-2-yl)acetate
CID 133058432
ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
CID 13060218
ethyl 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]acetate
CID 62887403
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62892210
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
CID 133060978
ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62892331
2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide
CID 114234568
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 2-[3-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 171029636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate (CID 58972926) is ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate is CCOC(=O)Cc1nc(N)ccc1Cl.
What is the InChIKey of ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate?
The InChIKey is PFLCWIITPRNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-2-14-9(13)5-7-6(10)3-4-8(11)12-7/h3-4H,2,5H2,1H3,(H2,11,12).
What are the key properties of ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate?
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate has a molecular weight of 214.65 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate is sourced from PubChem (CID 58972926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).