ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate

C10H8F3N3O3 — CID 133096570

IUPACethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(N)c(C#N)n1
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)5-3-7(19-10(11,12)13)8(15)6(4-14)16-5/h3H,2,15H2,1H3
InChIKeyXFOAFBCRBIEXDH-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.61
Rot. Bonds3

About ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 133096570) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID133096570
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Nameethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(N)c(C#N)n1
InChIInChI=1S/C10H8F3N3O3/c1-2-18-9(17)5-3-7(19-10(11,12)13)8(15)6(4-14)16-5/h3H,2,15H2,1H3
InChIKeyXFOAFBCRBIEXDH-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-(chloromethyl)-5-fluoro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680363
ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096435
ethyl 2-amino-6-cyano-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096441
ethyl 5-amino-6-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096574
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131393888
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096589
ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028949
ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 134684998
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339
ethyl 6-cyano-5-methoxypyridine-2-carboxylate
CID 133097463

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate (CID 133096570) is ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1cc(OC(F)(F)F)c(N)c(C#N)n1.
What is the InChIKey of ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is XFOAFBCRBIEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-2-18-9(17)5-3-7(19-10(11,12)13)8(15)6(4-14)16-5/h3H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 5-amino-6-cyano-4-(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 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 133096570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).