2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid

C11H9FN2O2 — CID 166638943

IUPAC2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccn[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O2/c12-9-2-1-7(10-3-4-13-14-10)5-8(9)6-11(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyYILLOEHQXGAWJT-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.84
Rot. Bonds3

About 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid

2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid (PubChem CID 166638943) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
PubChem CID166638943
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccn[nH]2)ccc1F
InChIInChI=1S/C11H9FN2O2/c12-9-2-1-7(10-3-4-13-14-10)5-8(9)6-11(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyYILLOEHQXGAWJT-UHFFFAOYSA-N
XLogP1.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide
CID 155956840
2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid
CID 176548301
5-(4-fluoro-3-methoxyphenyl)-1H-pyrazole
CID 70662601
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-[4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 102534246
N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate
CID 86668920
5-(4-chlorophenyl)-1H-pyrazole
CID 714291
2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide
CID 155957417

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid (CID 166638943) is 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid is O=C(O)Cc1cc(-c2ccn[nH]2)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid?
The InChIKey is YILLOEHQXGAWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-2-1-7(10-3-4-13-14-10)5-8(9)6-11(15)16/h1-5H,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid?
2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid has a molecular weight of 220.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid is sourced from PubChem (CID 166638943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).