2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid

C10H8F6N2O3 — CID 134678169

IUPAC2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESNCc1nc(C(F)(F)F)c(CC(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C10H8F6N2O3/c11-9(12,13)8-4(2-7(19)20)1-6(5(3-17)18-8)21-10(14,15)16/h1H,2-3,17H2,(H,19,20)
InChIKeyIFXJKAIRJVYWDS-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.08
Rot. Bonds4

About 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 134678169) has the molecular formula C10H8F6N2O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID134678169
Molecular FormulaC10H8F6N2O3
Molecular Weight318.17 g/mol
Exact Mass318.04
IUPAC Name2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESNCc1nc(C(F)(F)F)c(CC(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C10H8F6N2O3/c11-9(12,13)8-4(2-7(19)20)1-6(5(3-17)18-8)21-10(14,15)16/h1H,2-3,17H2,(H,19,20)
InChIKeyIFXJKAIRJVYWDS-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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Related Compounds

2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
2-[5-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134668050
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 118808662
[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118831104
5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134682041
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134661435
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118819823

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 134678169) is 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid is NCc1nc(C(F)(F)F)c(CC(=O)O)cc1OC(F)(F)F.
What is the InChIKey of 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is IFXJKAIRJVYWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O3/c11-9(12,13)8-4(2-7(19)20)1-6(5(3-17)18-8)21-10(14,15)16/h1H,2-3,17H2,(H,19,20).
What are the key properties of 2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-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)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134678169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).