ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate

C10H8F3N3O3 — CID 133096435

IUPACethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c(OC(F)(F)F)cc1C#N
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)7-5(4-14)3-6(8(15)16-7)19-10(11,12)13/h3H,2H2,1H3,(H2,15,16)
InChIKeyGGJBUTDJYLEMEE-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.61
Rot. Bonds3

About ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 133096435) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID133096435
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Nameethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c(OC(F)(F)F)cc1C#N
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)7-5(4-14)3-6(8(15)16-7)19-10(11,12)13/h3H,2H2,1H3,(H2,15,16)
InChIKeyGGJBUTDJYLEMEE-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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 133096435) is ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1nc(N)c(OC(F)(F)F)cc1C#N.
What is the InChIKey of ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is GGJBUTDJYLEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-2-18-9(17)7-5(4-14)3-6(8(15)16-7)19-10(11,12)13/h3H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-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 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 133096435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).