1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one

C21H16F2N2O2 — CID 166167104

IUPAC1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1c(F)cc(-c2cccc(-c3ccncc3)c2O)cc1F
InChIInChI=1S/C21H16F2N2O2/c22-17-11-14(12-18(23)20(17)25-10-2-5-19(25)26)16-4-1-3-15(21(16)27)13-6-8-24-9-7-13/h1,3-4,6-9,11-12,27H,2,5,10H2
InChIKeyBVSDWRVUCVZTAI-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.53
Rot. Bonds3

About 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one

1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one (PubChem CID 166167104) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
PubChem CID166167104
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1c(F)cc(-c2cccc(-c3ccncc3)c2O)cc1F
InChIInChI=1S/C21H16F2N2O2/c22-17-11-14(12-18(23)20(17)25-10-2-5-19(25)26)16-4-1-3-15(21(16)27)13-6-8-24-9-7-13/h1,3-4,6-9,11-12,27H,2,5,10H2
InChIKeyBVSDWRVUCVZTAI-UHFFFAOYSA-N
XLogP4.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one (CID 166167104) is 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1c(F)cc(-c2cccc(-c3ccncc3)c2O)cc1F.
What is the InChIKey of 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
The InChIKey is BVSDWRVUCVZTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c22-17-11-14(12-18(23)20(17)25-10-2-5-19(25)26)16-4-1-3-15(21(16)27)13-6-8-24-9-7-13/h1,3-4,6-9,11-12,27H,2,5,10H2.
What are the key properties of 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one has a molecular weight of 366.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166167104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).