acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine

C11H15F3N2O3 — CID 171929343

IUPACacetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(=O)O.CCOc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C9H11F3N2O.C2H4O2/c1-2-15-8-6(5-13)3-4-7(14-8)9(10,11)12;1-2(3)4/h3-4H,2,5,13H2,1H3;1H3,(H,3,4)
InChIKeyGQSJLNNWBNFYKJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.05
Rot. Bonds3

About acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine

acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 171929343) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Nameacetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID171929343
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Nameacetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(=O)O.CCOc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C9H11F3N2O.C2H4O2/c1-2-15-8-6(5-13)3-4-7(14-8)9(10,11)12;1-2(3)4/h3-4H,2,5,13H2,1H3;1H3,(H,3,4)
InChIKeyGQSJLNNWBNFYKJ-UHFFFAOYSA-N
XLogP2.05
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171924494
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873351
2-ethoxy-3,6-bis(trifluoromethyl)pyridine
CID 133095206
[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873264
2-ethoxy-3-iodo-6-(trifluoromethyl)pyridine
CID 131118413
[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873449
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685
N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102739699
2-ethoxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine
CID 67439113
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide
CID 79869188
[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873485

Frequently Asked Questions

What is the IUPAC name of acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 171929343) is acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine is CC(=O)O.CCOc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is GQSJLNNWBNFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.C2H4O2/c1-2-15-8-6(5-13)3-4-7(14-8)9(10,11)12;1-2(3)4/h3-4H,2,5,13H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 280.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 171929343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).