ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate

C10H11N3O2 — CID 133098447

IUPACethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cncc(C#N)c1N
InChIInChI=1S/C10H11N3O2/c1-2-15-9(14)3-7-5-13-6-8(4-11)10(7)12/h5-6H,2-3H2,1H3,(H2,12,13)
InChIKeyMOWCDOOQNATBLE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.64
Rot. Bonds3

About ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate

ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate (PubChem CID 133098447) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate
PubChem CID133098447
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cncc(C#N)c1N
InChIInChI=1S/C10H11N3O2/c1-2-15-9(14)3-7-5-13-6-8(4-11)10(7)12/h5-6H,2-3H2,1H3,(H2,12,13)
InChIKeyMOWCDOOQNATBLE-UHFFFAOYSA-N
XLogP0.64
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-bromo-5-cyano-3-pyridinyl)acetate
CID 133098215
ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134672783
ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
CID 133097335
methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate
CID 130967534
ethyl 2-(6-chloro-4-cyano-3-pyridinyl)acetate
CID 133097864
ethyl 2-(5-cyano-4-ethyl-2-methylphenyl)acetate
CID 134614240
ethyl 2-(4,5-dichloro-2-cyanophenyl)acetate
CID 134654059
ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134662400
ethyl 2-(2-cyano-4-ethyl-5-methoxyphenyl)acetate
CID 134615010
ethyl 2-(2-cyano-5-hydroxy-4-methylphenyl)acetate
CID 134632229
ethyl 2-(5-bromo-4-cyano-2-methylphenyl)acetate
CID 134652671
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate (CID 133098447) is ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate is CCOC(=O)Cc1cncc(C#N)c1N.
What is the InChIKey of ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate?
The InChIKey is MOWCDOOQNATBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-9(14)3-7-5-13-6-8(4-11)10(7)12/h5-6H,2-3H2,1H3,(H2,12,13).
What are the key properties of ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate?
ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate has a molecular weight of 205.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate is sourced from PubChem (CID 133098447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).