4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine

C21H14F2N2 — CID 18939011

IUPAC4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
SMILESFc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C21H14F2N2/c22-17-5-1-15(2-6-17)20-13-19(14-9-11-24-12-10-14)21(25-20)16-3-7-18(23)8-4-16/h1-13,25H
InChIKeyCSXBVJCIVUUQNW-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.69
Rot. Bonds3

About 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine

4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine (PubChem CID 18939011) has the molecular formula C21H14F2N2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
PubChem CID18939011
Molecular FormulaC21H14F2N2
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
SMILESFc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C21H14F2N2/c22-17-5-1-15(2-6-17)20-13-19(14-9-11-24-12-10-14)21(25-20)16-3-7-18(23)8-4-16/h1-13,25H
InChIKeyCSXBVJCIVUUQNW-UHFFFAOYSA-N
XLogP5.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine (CID 18939011) is 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine is Fc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
The InChIKey is CSXBVJCIVUUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2/c22-17-5-1-15(2-6-17)20-13-19(14-9-11-24-12-10-14)21(25-20)16-3-7-18(23)8-4-16/h1-13,25H.
What are the key properties of 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine?
4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine has a molecular weight of 332.35 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 18939011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).