ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate

C10H11F3N2O2 — CID 122605021

IUPACethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CN)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-2-17-9(16)8-7(10(11,12)13)4-3-6(5-14)15-8/h3-4H,2,5,14H2,1H3
InChIKeyBSFOYUQVKSUTEY-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.74
Rot. Bonds3

About ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate

ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 122605021) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID122605021
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CN)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-2-17-9(16)8-7(10(11,12)13)4-3-6(5-14)15-8/h3-4H,2,5,14H2,1H3
InChIKeyBSFOYUQVKSUTEY-UHFFFAOYSA-N
XLogP1.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate (CID 122605021) is ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1nc(CN)ccc1C(F)(F)F.
What is the InChIKey of ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is BSFOYUQVKSUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-17-9(16)8-7(10(11,12)13)4-3-6(5-14)15-8/h3-4H,2,5,14H2,1H3.
What are the key properties of ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 248.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 122605021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).