1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid

C17H12FNO2 — CID 77231600

IUPAC1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C17H12FNO2/c18-13-6-8-14(9-7-13)19-11-10-15(17(20)21)16(19)12-4-2-1-3-5-12/h1-11H,(H,20,21)
InChIKeyMMOWAWVHVKIWQQ-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid

1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid (PubChem CID 77231600) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
PubChem CID77231600
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C17H12FNO2/c18-13-6-8-14(9-7-13)19-11-10-15(17(20)21)16(19)12-4-2-1-3-5-12/h1-11H,(H,20,21)
InChIKeyMMOWAWVHVKIWQQ-UHFFFAOYSA-N
XLogP3.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid (CID 77231600) is 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid is O=C(O)c1ccn(-c2ccc(F)cc2)c1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid?
The InChIKey is MMOWAWVHVKIWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-13-6-8-14(9-7-13)19-11-10-15(17(20)21)16(19)12-4-2-1-3-5-12/h1-11H,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid?
1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 77231600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).