ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate

C10H10F4N2O3 — CID 133087391

IUPACethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC(F)(F)F)c(N)c1CF
InChIInChI=1S/C10H10F4N2O3/c1-2-18-9(17)8-5(3-11)7(15)6(4-16-8)19-10(12,13)14/h4H,2-3H2,1H3,(H2,15,16)
InChIKeyXUZSUOPRGBWYFO-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.21
Rot. Bonds4

About ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 133087391) has the molecular formula C10H10F4N2O3 and a molecular weight of 282.19 g/mol. Its IUPAC name is ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID133087391
Molecular FormulaC10H10F4N2O3
Molecular Weight282.19 g/mol
Exact Mass282.06
IUPAC Nameethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC(F)(F)F)c(N)c1CF
InChIInChI=1S/C10H10F4N2O3/c1-2-18-9(17)8-5(3-11)7(15)6(4-16-8)19-10(12,13)14/h4H,2-3H2,1H3,(H2,15,16)
InChIKeyXUZSUOPRGBWYFO-UHFFFAOYSA-N
XLogP2.21
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087422
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028949
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665521
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676743
methyl 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677024
methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665380
ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680335
ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681708
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 133087391) is ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1ncc(OC(F)(F)F)c(N)c1CF.
What is the InChIKey of ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is XUZSUOPRGBWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O3/c1-2-18-9(17)8-5(3-11)7(15)6(4-16-8)19-10(12,13)14/h4H,2-3H2,1H3,(H2,15,16).
What are the key properties of ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 282.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 133087391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).