ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate

C10H8F3N3O3 — CID 133096441

IUPACethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC(F)(F)F)cc(C#N)nc1N
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)7-6(19-10(11,12)13)3-5(4-14)16-8(7)15/h3H,2H2,1H3,(H2,15,16)
InChIKeyWRMDICDHXOBLKM-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.61
Rot. Bonds3

About ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 133096441) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID133096441
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Nameethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC(F)(F)F)cc(C#N)nc1N
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)7-6(19-10(11,12)13)3-5(4-14)16-8(7)15/h3H,2H2,1H3,(H2,15,16)
InChIKeyWRMDICDHXOBLKM-UHFFFAOYSA-N
XLogP1.61
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096435
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096589
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
ethyl 2-cyano-6-ethyl-3-(trifluoromethoxy)benzoate
CID 134614915
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
ethyl 6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683031
ethyl 4-cyano-3-hydroxy-5-(trifluoromethoxy)benzoate
CID 134645461
ethyl 2-cyano-4-hydroxy-5-(trifluoromethoxy)benzoate
CID 134644581
ethyl 2-cyano-3-formyl-6-(trifluoromethoxy)benzoate
CID 134643532
ethyl 5-amino-6-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096574
ethyl 6-(bromomethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675576
ethyl 6-fluoro-2-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659773

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate (CID 133096441) is ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1c(OC(F)(F)F)cc(C#N)nc1N.
What is the InChIKey of ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is WRMDICDHXOBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-2-18-9(17)7-6(19-10(11,12)13)3-5(4-14)16-8(7)15/h3H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 275.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 133096441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).