2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid

C10H8F6N2O3 — CID 134667673

IUPAC2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESNCc1cc(CC(=O)O)c(C(F)(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C10H8F6N2O3/c11-9(12,13)7-4(2-6(19)20)1-5(3-17)18-8(7)21-10(14,15)16/h1H,2-3,17H2,(H,19,20)
InChIKeyOAVCKFWIDXKWTN-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.08
Rot. Bonds4

About 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid

2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 134667673) has the molecular formula C10H8F6N2O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID134667673
Molecular FormulaC10H8F6N2O3
Molecular Weight318.17 g/mol
Exact Mass318.04
IUPAC Name2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESNCc1cc(CC(=O)O)c(C(F)(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C10H8F6N2O3/c11-9(12,13)7-4(2-6(19)20)1-5(3-17)18-8(7)21-10(14,15)16/h1H,2-3,17H2,(H,19,20)
InChIKeyOAVCKFWIDXKWTN-UHFFFAOYSA-N
XLogP2.08
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 134667673) is 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid is NCc1cc(CC(=O)O)c(C(F)(F)F)c(OC(F)(F)F)n1.
What is the InChIKey of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is OAVCKFWIDXKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O3/c11-9(12,13)7-4(2-6(19)20)1-5(3-17)18-8(7)21-10(14,15)16/h1H,2-3,17H2,(H,19,20).
What are the key properties of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 318.17 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134667673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).