2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid

C6H7FN2O3 — CID 116792176

IUPAC2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid
SMILESCn1cc(OC(F)C(=O)O)cn1
InChIInChI=1S/C6H7FN2O3/c1-9-3-4(2-8-9)12-5(7)6(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyKYIMUFSNERKCBO-UHFFFAOYSA-N
MW174.13 g/mol
LogP0.18
Rot. Bonds3

About 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid

2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid (PubChem CID 116792176) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid
PubChem CID116792176
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid
SMILESCn1cc(OC(F)C(=O)O)cn1
InChIInChI=1S/C6H7FN2O3/c1-9-3-4(2-8-9)12-5(7)6(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyKYIMUFSNERKCBO-UHFFFAOYSA-N
XLogP0.18
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl) 2,2-difluoroacetate
CID 130634542
N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793988
(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate
CID 130670080
1-methyl-4-(1-phenylethoxy)pyrazole
CID 116794115
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793941
ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
CID 116800069
N-(ethylcarbamoyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116794030
2-fluoro-4-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792576
(1S)-1-(1-methylpyrazol-4-yl)peroxyethanol
CID 129182598
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
(1-methylpyrazol-4-yl) N-ethylcarbamate
CID 54394842
3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid?
The IUPAC name of 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid (CID 116792176) is 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid.
What is the SMILES notation for 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid?
The canonical SMILES for 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid is Cn1cc(OC(F)C(=O)O)cn1.
What is the InChIKey of 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid?
The InChIKey is KYIMUFSNERKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3/c1-9-3-4(2-8-9)12-5(7)6(10)11/h2-3,5H,1H3,(H,10,11).
What are the key properties of 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid?
2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid has a molecular weight of 174.13 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid is sourced from PubChem (CID 116792176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).