2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid

C5H4BrFN2O2 — CID 81298277

IUPAC2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cc(Br)cn1
InChIInChI=1S/C5H4BrFN2O2/c6-3-1-8-9(2-3)4(7)5(10)11/h1-2,4H,(H,10,11)
InChIKeyMEHNVKKDIXEVTN-UHFFFAOYSA-N
MW223.00 g/mol
LogP1.20
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid

2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid (PubChem CID 81298277) has the molecular formula C5H4BrFN2O2 and a molecular weight of 223.00 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid
PubChem CID81298277
Molecular FormulaC5H4BrFN2O2
Molecular Weight223.00 g/mol
Exact Mass221.94
IUPAC Name2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cc(Br)cn1
InChIInChI=1S/C5H4BrFN2O2/c6-3-1-8-9(2-3)4(7)5(10)11/h1-2,4H,(H,10,11)
InChIKeyMEHNVKKDIXEVTN-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.00
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid (CID 81298277) is 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid is O=C(O)C(F)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid?
The InChIKey is MEHNVKKDIXEVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2O2/c6-3-1-8-9(2-3)4(7)5(10)11/h1-2,4H,(H,10,11).
What are the key properties of 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid?
2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid has a molecular weight of 223.00 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).