1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one

C19H17FN2O — CID 174486363

IUPAC1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1C
InChIInChI=1S/C19H17FN2O/c1-3-17(23)19-18(14-4-6-15(20)7-5-14)16(12-22(19)2)13-8-10-21-11-9-13/h4-12H,3H2,1-2H3
InChIKeyYHYSFWYWDRFIEL-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.49
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one

1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one (PubChem CID 174486363) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one
PubChem CID174486363
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1C
InChIInChI=1S/C19H17FN2O/c1-3-17(23)19-18(14-4-6-15(20)7-5-14)16(12-22(19)2)13-8-10-21-11-9-13/h4-12H,3H2,1-2H3
InChIKeyYHYSFWYWDRFIEL-UHFFFAOYSA-N
XLogP4.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one (CID 174486363) is 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one is CCC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1C.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one?
The InChIKey is YHYSFWYWDRFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-3-17(23)19-18(14-4-6-15(20)7-5-14)16(12-22(19)2)13-8-10-21-11-9-13/h4-12H,3H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one?
1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one has a molecular weight of 308.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one is sourced from PubChem (CID 174486363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).