4-fluoro-1H-pyrrole-2-carboxylic acid

C5H4FNO2 — CID 55297443

IUPAC4-fluoro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(F)c[nH]1
InChIInChI=1S/C5H4FNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKeyPTARRKAHMJKQLQ-UHFFFAOYSA-N
MW129.09 g/mol
LogP0.85
Rot. Bonds1

About 4-fluoro-1H-pyrrole-2-carboxylic acid

4-fluoro-1H-pyrrole-2-carboxylic acid (PubChem CID 55297443) has the molecular formula C5H4FNO2 and a molecular weight of 129.09 g/mol. Its IUPAC name is 4-fluoro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1H-pyrrole-2-carboxylic acid
PubChem CID55297443
Molecular FormulaC5H4FNO2
Molecular Weight129.09 g/mol
Exact Mass129.02
IUPAC Name4-fluoro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(F)c[nH]1
InChIInChI=1S/C5H4FNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKeyPTARRKAHMJKQLQ-UHFFFAOYSA-N
XLogP0.85
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-fluoro-1H-pyrrole-2-carboxylic acid (CID 55297443) is 4-fluoro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-fluoro-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(F)c[nH]1.
What is the InChIKey of 4-fluoro-1H-pyrrole-2-carboxylic acid?
The InChIKey is PTARRKAHMJKQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9).
What are the key properties of 4-fluoro-1H-pyrrole-2-carboxylic acid?
4-fluoro-1H-pyrrole-2-carboxylic acid has a molecular weight of 129.09 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 55297443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).