2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid

C9H7F4NO4 — CID 118829750

IUPAC2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(CF)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C9H7F4NO4/c10-3-4-1-6(15)14-8(18-9(11,12)13)5(4)2-7(16)17/h1H,2-3H2,(H,14,15)(H,16,17)
InChIKeyOFCCOINBAPSWSE-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid

2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid (PubChem CID 118829750) has the molecular formula C9H7F4NO4 and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
PubChem CID118829750
Molecular FormulaC9H7F4NO4
Molecular Weight269.15 g/mol
Exact Mass269.03
IUPAC Name2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(CF)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C9H7F4NO4/c10-3-4-1-6(15)14-8(18-9(11,12)13)5(4)2-7(16)17/h1H,2-3H2,(H,14,15)(H,16,17)
InChIKeyOFCCOINBAPSWSE-UHFFFAOYSA-N
XLogP1.37
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid (CID 118829750) is 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c(CF)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
The InChIKey is OFCCOINBAPSWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO4/c10-3-4-1-6(15)14-8(18-9(11,12)13)5(4)2-7(16)17/h1H,2-3H2,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid has a molecular weight of 269.15 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 118829750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).