methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate

C9H9N3O2 — CID 130777632

IUPACmethyl 2-(6-amino-4-cyano-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C#N)cc(N)n1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)4-7-2-6(5-10)3-8(11)12-7/h2-3H,4H2,1H3,(H2,11,12)
InChIKeyWINKQNUFJYZXOA-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate

methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate (PubChem CID 130777632) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-4-cyano-2-pyridinyl)acetate
PubChem CID130777632
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 2-(6-amino-4-cyano-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C#N)cc(N)n1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)4-7-2-6(5-10)3-8(11)12-7/h2-3H,4H2,1H3,(H2,11,12)
InChIKeyWINKQNUFJYZXOA-UHFFFAOYSA-N
XLogP0.25
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
2,6-diaminopyridine-4-carbonitrile
CID 55284821
methyl 2-(5-cyano-2,3-diethylphenyl)acetate
CID 134613444
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
methyl 2-[3-(aminomethyl)-5-cyano-2-(trifluoromethoxy)phenyl]acetate
CID 134634854
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052
methyl 2-[2-amino-5-cyano-3-(difluoromethoxy)phenyl]acetate
CID 171024348
methyl 2-[4-cyano-2-ethyl-6-(hydroxymethyl)phenyl]acetate
CID 134613542
methyl 2-[2-bromo-5-cyano-3-(hydroxymethyl)phenyl]acetate
CID 134638894
methyl 2-(6-cyano-5-methyl-2-pyridinyl)acetate
CID 130779463
methyl 2-(2-chloro-5-cyano-3-methylphenyl)acetate
CID 171029913
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate (CID 130777632) is methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate is COC(=O)Cc1cc(C#N)cc(N)n1.
What is the InChIKey of methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate?
The InChIKey is WINKQNUFJYZXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9(13)4-7-2-6(5-10)3-8(11)12-7/h2-3H,4H2,1H3,(H2,11,12).
What are the key properties of methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate?
methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate has a molecular weight of 191.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate is sourced from PubChem (CID 130777632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).