2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid

C9H7F4NO4 — CID 118848779

IUPAC2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(CF)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C9H7F4NO4/c10-2-5-4(1-7(16)17)8(6(15)3-14-5)18-9(11,12)13/h3,15H,1-2H2,(H,16,17)
InChIKeyVATMCYQWELZDHK-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.78
Rot. Bonds4

About 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid

2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 118848779) has the molecular formula C9H7F4NO4 and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID118848779
Molecular FormulaC9H7F4NO4
Molecular Weight269.15 g/mol
Exact Mass269.03
IUPAC Name2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(CF)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C9H7F4NO4/c10-2-5-4(1-7(16)17)8(6(15)3-14-5)18-9(11,12)13/h3,15H,1-2H2,(H,16,17)
InChIKeyVATMCYQWELZDHK-UHFFFAOYSA-N
XLogP1.78
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(fluoromethyl)-5-hydroxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134681335
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425
2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623
2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134659981
2-[3-hydroxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134681270
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118849000
methyl 2-[5-hydroxy-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659697
ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665521

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (CID 118848779) is 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is O=C(O)Cc1c(CF)ncc(O)c1OC(F)(F)F.
What is the InChIKey of 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is VATMCYQWELZDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO4/c10-2-5-4(1-7(16)17)8(6(15)3-14-5)18-9(11,12)13/h3,15H,1-2H2,(H,16,17).
What are the key properties of 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid has a molecular weight of 269.15 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118848779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).