1-(4-fluorophenyl)pyrrole-2-carboxylic acid

C11H8FNO2 — CID 17390044

IUPAC1-(4-fluorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccc(F)cc1
InChIInChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h1-7H,(H,14,15)
InChIKeyYHOQBALKYXZCAA-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.31
Rot. Bonds2

About 1-(4-fluorophenyl)pyrrole-2-carboxylic acid

1-(4-fluorophenyl)pyrrole-2-carboxylic acid (PubChem CID 17390044) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)pyrrole-2-carboxylic acid
PubChem CID17390044
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name1-(4-fluorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccc(F)cc1
InChIInChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h1-7H,(H,14,15)
InChIKeyYHOQBALKYXZCAA-UHFFFAOYSA-N
XLogP2.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)pyrrole-2-carboxylic acid (CID 17390044) is 1-(4-fluorophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)pyrrole-2-carboxylic acid?
The InChIKey is YHOQBALKYXZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h1-7H,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)pyrrole-2-carboxylic acid?
1-(4-fluorophenyl)pyrrole-2-carboxylic acid has a molecular weight of 205.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 17390044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).