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

C8H7F3N2O2 — CID 118823447

IUPAC2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1ccnc(CC(=O)O)c1C(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)7-4(12)1-2-13-5(7)3-6(14)15/h1-2H,3H2,(H2,12,13)(H,14,15)
InChIKeyQPYLEQURVKGYKT-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.31
Rot. Bonds2

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

2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 118823447) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID118823447
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1ccnc(CC(=O)O)c1C(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)7-4(12)1-2-13-5(7)3-6(14)15/h1-2H,3H2,(H2,12,13)(H,14,15)
InChIKeyQPYLEQURVKGYKT-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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Related Compounds

2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118817826
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131498013
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130094889
2-bromo-3-(trifluoromethyl)pyridin-4-amine
CID 118846163
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
4-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812170
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100098
2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098319

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 118823447) is 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid is Nc1ccnc(CC(=O)O)c1C(F)(F)F.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is QPYLEQURVKGYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)7-4(12)1-2-13-5(7)3-6(14)15/h1-2H,3H2,(H2,12,13)(H,14,15).
What are the key properties of 2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[4-amino-3-(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-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118823447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).