2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid

C8H6F4N2O3 — CID 118812154

IUPAC2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNc1c(OC(F)(F)F)cnc(CC(=O)O)c1F
InChIInChI=1S/C8H6F4N2O3/c9-6-3(1-5(15)16)14-2-4(7(6)13)17-8(10,11)12/h2H,1H2,(H2,13,14)(H,15,16)
InChIKeyYZYHSZAZUKWSNO-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.33
Rot. Bonds3

About 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid

2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 118812154) has the molecular formula C8H6F4N2O3 and a molecular weight of 254.14 g/mol. Its IUPAC name is 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID118812154
Molecular FormulaC8H6F4N2O3
Molecular Weight254.14 g/mol
Exact Mass254.03
IUPAC Name2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNc1c(OC(F)(F)F)cnc(CC(=O)O)c1F
InChIInChI=1S/C8H6F4N2O3/c9-6-3(1-5(15)16)14-2-4(7(6)13)17-8(10,11)12/h2H,1H2,(H2,13,14)(H,15,16)
InChIKeyYZYHSZAZUKWSNO-UHFFFAOYSA-N
XLogP1.33
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-amino-3-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118810865
2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134678704
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
2-[2-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118832558
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
3-amino-4-fluoro-5-(trifluoromethoxy)benzoic acid
CID 134649980

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 118812154) is 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is Nc1c(OC(F)(F)F)cnc(CC(=O)O)c1F.
What is the InChIKey of 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is YZYHSZAZUKWSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O3/c9-6-3(1-5(15)16)14-2-4(7(6)13)17-8(10,11)12/h2H,1H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 254.14 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118812154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).