ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate

C10H10N2O3 — CID 133097572

IUPACethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1nc(C#N)ccc1O
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)5-8-9(13)4-3-7(6-11)12-8/h3-4,13H,2,5H2,1H3
InChIKeyVMEXMRUQNPBHAG-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.76
Rot. Bonds3

About ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate

ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate (PubChem CID 133097572) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate
PubChem CID133097572
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1nc(C#N)ccc1O
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)5-8-9(13)4-3-7(6-11)12-8/h3-4,13H,2,5H2,1H3
InChIKeyVMEXMRUQNPBHAG-UHFFFAOYSA-N
XLogP0.76
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370
ethyl 2-(2-cyano-6-hydroxy-3-methylphenyl)acetate
CID 134632251
ethyl 2-(6-cyano-2,3-dihydroxyphenyl)acetate
CID 134654415
ethyl 2-(3-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134654362
ethyl 2-(2-cyano-6-fluoro-4-pyridinyl)acetate
CID 171028546
ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
CID 134653675
ethane;ethyl 2-(4-cyano-2-hydroxyphenyl)acetate
CID 156725106
ethyl 2-[5-(aminomethyl)-4-cyano-2-hydroxyphenyl]acetate
CID 134652264
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
ethyl 2-(3-cyano-2-hydroxy-4-methylphenyl)acetate
CID 134632991

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate (CID 133097572) is ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate is CCOC(=O)Cc1nc(C#N)ccc1O.
What is the InChIKey of ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate?
The InChIKey is VMEXMRUQNPBHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-15-10(14)5-8-9(13)4-3-7(6-11)12-8/h3-4,13H,2,5H2,1H3.
What are the key properties of ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate?
ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate has a molecular weight of 206.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate is sourced from PubChem (CID 133097572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).