ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate

C9H9F3N2O2 — CID 53404700

IUPACethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-2-16-8(15)5-4-14-7(13)3-6(5)9(10,11)12/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyJDVSNPAZVQTMBC-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.86
Rot. Bonds2

About ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 53404700) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID53404700
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Nameethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-2-16-8(15)5-4-14-7(13)3-6(5)9(10,11)12/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyJDVSNPAZVQTMBC-UHFFFAOYSA-N
XLogP1.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate (CID 53404700) is ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(N)cc1C(F)(F)F.
What is the InChIKey of ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is JDVSNPAZVQTMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-16-8(15)5-4-14-7(13)3-6(5)9(10,11)12/h3-4H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 234.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 53404700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).