2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid

C10H11F3N2O2 — CID 142577219

IUPAC2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCC(F)(F)F)c1ccccn1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)4-6-15(7-9(16)17)8-3-1-2-5-14-8/h1-3,5H,4,6-7H2,(H,16,17)
InChIKeyWVNJVGPPSGDXRA-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.92
Rot. Bonds5

About 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid

2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid (PubChem CID 142577219) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid
PubChem CID142577219
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCC(F)(F)F)c1ccccn1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)4-6-15(7-9(16)17)8-3-1-2-5-14-8/h1-3,5H,4,6-7H2,(H,16,17)
InChIKeyWVNJVGPPSGDXRA-UHFFFAOYSA-N
XLogP1.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
2-[4-methyl-N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566736
2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258075
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
2,2-dimethyl-N,N-dipyridin-2-ylpropanamide
CID 66628090
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
[acetyloxymethyl(pyridin-2-yl)amino]methyl acetate
CID 143195366
N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide
CID 87929157
2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid
CID 167823695

Frequently Asked Questions

What is the IUPAC name of 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid?
The IUPAC name of 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid (CID 142577219) is 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid.
What is the SMILES notation for 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid?
The canonical SMILES for 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid is O=C(O)CN(CCC(F)(F)F)c1ccccn1.
What is the InChIKey of 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid?
The InChIKey is WVNJVGPPSGDXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)4-6-15(7-9(16)17)8-3-1-2-5-14-8/h1-3,5H,4,6-7H2,(H,16,17).
What are the key properties of 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid?
2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid has a molecular weight of 248.20 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyridin-2-yl(3,3,3-trifluoropropyl)amino]acetic acid is sourced from PubChem (CID 142577219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).