2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid

C9H5F6NO4 — CID 134663224

IUPAC2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C9H5F6NO4/c10-8(11,12)4-2-16-7(19)6(20-9(13,14)15)3(4)1-5(17)18/h2H,1H2,(H,16,19)(H,17,18)
InChIKeySKIZTLIDAXTSFT-UHFFFAOYSA-N
MW305.13 g/mol
LogP1.92
Rot. Bonds3

About 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid

2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid (PubChem CID 134663224) has the molecular formula C9H5F6NO4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
PubChem CID134663224
Molecular FormulaC9H5F6NO4
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C9H5F6NO4/c10-8(11,12)4-2-16-7(19)6(20-9(13,14)15)3(4)1-5(17)18/h2H,1H2,(H,16,19)(H,17,18)
InChIKeySKIZTLIDAXTSFT-UHFFFAOYSA-N
XLogP1.92
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134680867
2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134665312
2-[3-(aminomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 134681343
5-amino-4-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 133086208
5-(bromomethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 134666729
4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111918
4-(chloromethyl)-5-nitro-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134676871
4-(bromomethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112433
methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134663170
4-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134666315
2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
CID 174603225
methyl 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659856

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid (CID 134663224) is 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid is O=C(O)Cc1c(C(F)(F)F)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
The InChIKey is SKIZTLIDAXTSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO4/c10-8(11,12)4-2-16-7(19)6(20-9(13,14)15)3(4)1-5(17)18/h2H,1H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid has a molecular weight of 305.13 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid is sourced from PubChem (CID 134663224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).