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

C9H12N2O2 — CID 15475339

IUPACethyl 2-(3-amino-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1N
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)6-8-7(10)4-3-5-11-8/h3-5H,2,6,10H2,1H3
InChIKeyRVLUPVJZCRIMAY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.77
Rot. Bonds3

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

ethyl 2-(3-amino-2-pyridinyl)acetate (PubChem CID 15475339) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl 2-(3-amino-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-2-pyridinyl)acetate
PubChem CID15475339
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl 2-(3-amino-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1N
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)6-8-7(10)4-3-5-11-8/h3-5H,2,6,10H2,1H3
InChIKeyRVLUPVJZCRIMAY-UHFFFAOYSA-N
XLogP0.77
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
2-Pyridineacetic acid
CID 85318
Ethyl 2-cyano-2-(pyridin-2-yl)acetate
CID 2842210
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
Dimethyl 2-(3-nitropyridin-2-yl)malonate
CID 2782199
Ethyl difluoro(pyridin-2-yl)acetate
CID 10631894
Ethyl 2-(3-cyanopyridin-2-yl)acetate
CID 13050105
Butyl 2-(pyridin-2-yl)acetate
CID 14936493
Ethyl 2-(5-bromopyridin-2-yl)acetate
CID 46835658
Methyl (5-nitropyridin-2-yl)acetate
CID 51341867
Methyl 2-(4-bromopyridin-2-yl)acetate
CID 84071108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-amino-2-pyridinyl)acetate (CID 15475339) is ethyl 2-(3-amino-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-amino-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-amino-2-pyridinyl)acetate is CCOC(=O)Cc1ncccc1N.
What is the InChIKey of ethyl 2-(3-amino-2-pyridinyl)acetate?
The InChIKey is RVLUPVJZCRIMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-9(12)6-8-7(10)4-3-5-11-8/h3-5H,2,6,10H2,1H3.
What are the key properties of ethyl 2-(3-amino-2-pyridinyl)acetate?
ethyl 2-(3-amino-2-pyridinyl)acetate has a molecular weight of 180.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-2-pyridinyl)acetate is sourced from PubChem (CID 15475339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).