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

C11H11F2N3O2 — CID 134662400

IUPACethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(C#N)c(C(F)F)c1N
InChIInChI=1S/C11H11F2N3O2/c1-2-18-8(17)3-7-10(15)9(11(12)13)6(4-14)5-16-7/h5,11H,2-3,15H2,1H3
InChIKeyCAUINFMWIIKOBR-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.58
Rot. Bonds4

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

ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134662400) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134662400
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Nameethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(C#N)c(C(F)F)c1N
InChIInChI=1S/C11H11F2N3O2/c1-2-18-8(17)3-7-10(15)9(11(12)13)6(4-14)5-16-7/h5,11H,2-3,15H2,1H3
InChIKeyCAUINFMWIIKOBR-UHFFFAOYSA-N
XLogP1.58
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-chloro-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134676476
ethyl 2-[3-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134685984
ethyl 2-[3-bromo-5-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029566
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2-[4-cyano-5-(difluoromethyl)-6-nitro-2-pyridinyl]acetate
CID 133107228
ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
CID 133101258
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544
ethyl 2-[6-(chloromethyl)-4-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 133106349
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
ethyl 2-[3-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134674392
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134662400) is ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1ncc(C#N)c(C(F)F)c1N.
What is the InChIKey of ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is CAUINFMWIIKOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-2-18-8(17)3-7-10(15)9(11(12)13)6(4-14)5-16-7/h5,11H,2-3,15H2,1H3.
What are the key properties of ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 255.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134662400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).