2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine

C19H19FN2 — CID 12985928

IUPAC2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine
SMILESCc1c(F)ccc(-c2cccc(-n3c(C)ccc3C)n2)c1C
InChIInChI=1S/C19H19FN2/c1-12-8-9-13(2)22(12)19-7-5-6-18(21-19)16-10-11-17(20)15(4)14(16)3/h5-11H,1-4H3
InChIKeyFGDVELCXVKSNOK-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.91
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine

2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine (PubChem CID 12985928) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine
PubChem CID12985928
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine
SMILESCc1c(F)ccc(-c2cccc(-n3c(C)ccc3C)n2)c1C
InChIInChI=1S/C19H19FN2/c1-12-8-9-13(2)22(12)19-7-5-6-18(21-19)16-10-11-17(20)15(4)14(16)3/h5-11H,1-4H3
InChIKeyFGDVELCXVKSNOK-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine (CID 12985928) is 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine is Cc1c(F)ccc(-c2cccc(-n3c(C)ccc3C)n2)c1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine?
The InChIKey is FGDVELCXVKSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c1-12-8-9-13(2)22(12)19-7-5-6-18(21-19)16-10-11-17(20)15(4)14(16)3/h5-11H,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine?
2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine has a molecular weight of 294.37 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine is sourced from PubChem (CID 12985928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).