2-(4-fluoro-1H-pyrrol-2-yl)acetic acid

C6H6FNO2 — CID 174734966

IUPAC2-(4-fluoro-1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)Cc1cc(F)c[nH]1
InChIInChI=1S/C6H6FNO2/c7-4-1-5(8-3-4)2-6(9)10/h1,3,8H,2H2,(H,9,10)
InChIKeyNUZUPQREBYJAGO-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.78
Rot. Bonds2

About 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid

2-(4-fluoro-1H-pyrrol-2-yl)acetic acid (PubChem CID 174734966) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-1H-pyrrol-2-yl)acetic acid
PubChem CID174734966
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name2-(4-fluoro-1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)Cc1cc(F)c[nH]1
InChIInChI=1S/C6H6FNO2/c7-4-1-5(8-3-4)2-6(9)10/h1,3,8H,2H2,(H,9,10)
InChIKeyNUZUPQREBYJAGO-UHFFFAOYSA-N
XLogP0.78
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid (CID 174734966) is 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid is O=C(O)Cc1cc(F)c[nH]1.
What is the InChIKey of 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid?
The InChIKey is NUZUPQREBYJAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-4-1-5(8-3-4)2-6(9)10/h1,3,8H,2H2,(H,9,10).
What are the key properties of 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid?
2-(4-fluoro-1H-pyrrol-2-yl)acetic acid has a molecular weight of 143.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 174734966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).