2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine

C22H17FN2 — CID 158954454

IUPAC2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine
SMILESCc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccccn3)C2)cc1
InChIInChI=1S/C22H17FN2/c1-15-5-7-16(8-6-15)21-14-19(20-4-2-3-13-24-20)22(25-21)17-9-11-18(23)12-10-17/h2-13H,14H2,1H3
InChIKeyJFCOIDYZTWNANL-UHFFFAOYSA-N
MW328.39 g/mol
LogP5.29
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine

2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine (PubChem CID 158954454) has the molecular formula C22H17FN2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine
PubChem CID158954454
Molecular FormulaC22H17FN2
Molecular Weight328.39 g/mol
Exact Mass328.14
IUPAC Name2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine
SMILESCc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccccn3)C2)cc1
InChIInChI=1S/C22H17FN2/c1-15-5-7-16(8-6-15)21-14-19(20-4-2-3-13-24-20)22(25-21)17-9-11-18(23)12-10-17/h2-13H,14H2,1H3
InChIKeyJFCOIDYZTWNANL-UHFFFAOYSA-N
XLogP5.29
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium
CID 160716030
2-(4-methylphenyl)pyridine;silver
CID 121395993
tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[2-[4-(2-methylpropyl)phenyl]-5-phenyl-3H-pyrrol-4-yl]pyridine;5-[2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-3H-pyrrol-5-yl]-2,1,3-benzoxadiazole
CID 159820079
2,4,5-triphenyl-3H-pyrrole
CID 143156770
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-yl-3H-pyrrol-2-yl]benzamide
CID 165020989
bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
CID 175720169
6-(4-fluorophenyl)-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 933950
CID 158478788
CID 158478788
2-(4-fluorophenyl)-4-pyridin-2-yl-1,3,5-triazine
CID 19738064
N-[(4-fluorophenyl)-(2-pyridin-2-ylcyclohexen-1-yl)methyl]-4-methylbenzenesulfonamide
CID 66575261

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine (CID 158954454) is 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine is Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccccn3)C2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine?
The InChIKey is JFCOIDYZTWNANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2/c1-15-5-7-16(8-6-15)21-14-19(20-4-2-3-13-24-20)22(25-21)17-9-11-18(23)12-10-17/h2-13H,14H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine?
2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine has a molecular weight of 328.39 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine is sourced from PubChem (CID 158954454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).