2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid

C10H11F3N2O3 — CID 79456751

IUPAC2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-1-2-14-8(5-7)15-3-4-18-6-9(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyUPCFMGBWXFFXTA-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid

2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid (PubChem CID 79456751) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid
PubChem CID79456751
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-1-2-14-8(5-7)15-3-4-18-6-9(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyUPCFMGBWXFFXTA-UHFFFAOYSA-N
XLogP1.61
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328499
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122089424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid (CID 79456751) is 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid is O=C(O)COCCNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid?
The InChIKey is UPCFMGBWXFFXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)7-1-2-14-8(5-7)15-3-4-18-6-9(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid?
2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid has a molecular weight of 264.20 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79456751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).