2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol

C21H18F2N2O2 — CID 122186023

IUPAC2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2cccc(N3CCOCC3)c2)cc1F
InChIInChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-5-4-17(18)14-2-1-3-16(10-14)25-6-8-27-9-7-25/h1-5,10-13,26H,6-9H2
InChIKeyJXGRDWXLVXGFGC-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.24
Rot. Bonds3

About 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol

2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol (PubChem CID 122186023) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol
PubChem CID122186023
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2cccc(N3CCOCC3)c2)cc1F
InChIInChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-5-4-17(18)14-2-1-3-16(10-14)25-6-8-27-9-7-25/h1-5,10-13,26H,6-9H2
InChIKeyJXGRDWXLVXGFGC-UHFFFAOYSA-N
XLogP4.24
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol (CID 122186023) is 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol is Oc1c(F)cc(-c2cnccc2-c2cccc(N3CCOCC3)c2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol?
The InChIKey is JXGRDWXLVXGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-5-4-17(18)14-2-1-3-16(10-14)25-6-8-27-9-7-25/h1-5,10-13,26H,6-9H2.
What are the key properties of 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol has a molecular weight of 368.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(3-morpholin-4-ylphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).