2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid

C6H7FN2O2 — CID 79366346

IUPAC2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid
SMILESCn1nccc1C(F)C(=O)O
InChIInChI=1S/C6H7FN2O2/c1-9-4(2-3-8-9)5(7)6(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyJCQWSJYETRAZKY-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.52
Rot. Bonds2

About 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid

2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid (PubChem CID 79366346) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid
PubChem CID79366346
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid
SMILESCn1nccc1C(F)C(=O)O
InChIInChI=1S/C6H7FN2O2/c1-9-4(2-3-8-9)5(7)6(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyJCQWSJYETRAZKY-UHFFFAOYSA-N
XLogP0.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid (CID 79366346) is 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid is Cn1nccc1C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid?
The InChIKey is JCQWSJYETRAZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-9-4(2-3-8-9)5(7)6(10)11/h2-3,5H,1H3,(H,10,11).
What are the key properties of 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid?
2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid has a molecular weight of 158.13 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 79366346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).