2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol

C22H18F2N2O — CID 166165862

IUPAC2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol
SMILESC=C1CCCN1c1c(F)cc(-c2cccc(-c3ccncc3)c2O)cc1F
InChIInChI=1S/C22H18F2N2O/c1-14-4-3-11-26(14)21-19(23)12-16(13-20(21)24)18-6-2-5-17(22(18)27)15-7-9-25-10-8-15/h2,5-10,12-13,27H,1,3-4,11H2
InChIKeyLBDCKDGVFAGPBH-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.51
Rot. Bonds3

About 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol

2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol (PubChem CID 166165862) has the molecular formula C22H18F2N2O and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol
PubChem CID166165862
Molecular FormulaC22H18F2N2O
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol
SMILESC=C1CCCN1c1c(F)cc(-c2cccc(-c3ccncc3)c2O)cc1F
InChIInChI=1S/C22H18F2N2O/c1-14-4-3-11-26(14)21-19(23)12-16(13-20(21)24)18-6-2-5-17(22(18)27)15-7-9-25-10-8-15/h2,5-10,12-13,27H,1,3-4,11H2
InChIKeyLBDCKDGVFAGPBH-UHFFFAOYSA-N
XLogP5.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol?
The IUPAC name of 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol (CID 166165862) is 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol.
What is the SMILES notation for 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol?
The canonical SMILES for 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol is C=C1CCCN1c1c(F)cc(-c2cccc(-c3ccncc3)c2O)cc1F.
What is the InChIKey of 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol?
The InChIKey is LBDCKDGVFAGPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O/c1-14-4-3-11-26(14)21-19(23)12-16(13-20(21)24)18-6-2-5-17(22(18)27)15-7-9-25-10-8-15/h2,5-10,12-13,27H,1,3-4,11H2.
What are the key properties of 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol?
2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol has a molecular weight of 364.40 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(2-methylidenepyrrolidin-1-yl)phenyl]-6-pyridin-4-ylphenol is sourced from PubChem (CID 166165862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).