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

C10H8F3N3O3 — CID 133096589

IUPACethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C#N)nc(OC(F)(F)F)c1N
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)6-3-5(4-14)16-8(7(6)15)19-10(11,12)13/h3H,2,15H2,1H3
InChIKeyFNRRTXRBNXYDEN-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.61
Rot. Bonds3

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

ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate (PubChem CID 133096589) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
PubChem CID133096589
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Nameethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C#N)nc(OC(F)(F)F)c1N
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)6-3-5(4-14)16-8(7(6)15)19-10(11,12)13/h3H,2,15H2,1H3
InChIKeyFNRRTXRBNXYDEN-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 5-amino-6-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096574
ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096441
5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131434041
ethyl 2-cyano-4-(trifluoromethoxy)benzoate
CID 134644777
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665740
ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134679532
ethyl 3-cyano-2-methyl-5-(trifluoromethoxy)benzoate
CID 134633011
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872
ethyl 2-cyano-4-hydroxy-5-(trifluoromethoxy)benzoate
CID 134644581
methyl 5-amino-4-cyano-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133097018

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate (CID 133096589) is ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate is CCOC(=O)c1cc(C#N)nc(OC(F)(F)F)c1N.
What is the InChIKey of ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate?
The InChIKey is FNRRTXRBNXYDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-2-18-9(17)6-3-5(4-14)16-8(7(6)15)19-10(11,12)13/h3H,2,15H2,1H3.
What are the key properties of ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate?
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-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 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 133096589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).