2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid

C8H7F3N2O2 — CID 133098315

IUPAC2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1c(C(F)(F)F)ccnc1CC(=O)O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-1-2-13-5(7(4)12)3-6(14)15/h1-2H,3,12H2,(H,14,15)
InChIKeyYTWUYLMUCVRPME-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.31
Rot. Bonds2

About 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 133098315) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID133098315
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1c(C(F)(F)F)ccnc1CC(=O)O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-1-2-13-5(7(4)12)3-6(14)15/h1-2H,3,12H2,(H,14,15)
InChIKeyYTWUYLMUCVRPME-UHFFFAOYSA-N
XLogP1.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 133098315) is 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid is Nc1c(C(F)(F)F)ccnc1CC(=O)O.
What is the InChIKey of 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is YTWUYLMUCVRPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-1-2-13-5(7(4)12)3-6(14)15/h1-2H,3,12H2,(H,14,15).
What are the key properties of 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 220.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133098315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).