2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol

C22H12F4N2O2 — CID 135975773

IUPAC2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1-c1cccc(-c2cccc(-c3c(O)cc(F)cc3F)n2)n1
InChIInChI=1S/C22H12F4N2O2/c23-11-7-13(25)21(19(29)9-11)17-5-1-3-15(27-17)16-4-2-6-18(28-16)22-14(26)8-12(24)10-20(22)30/h1-10,29-30H
InChIKeyXCIZLNQYKYQWHH-UHFFFAOYSA-N
MW412.34 g/mol
LogP5.45
Rot. Bonds3

About 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol

2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol (PubChem CID 135975773) has the molecular formula C22H12F4N2O2 and a molecular weight of 412.34 g/mol. Its IUPAC name is 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol.

Molecular Properties

Compound Name2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol
PubChem CID135975773
Molecular FormulaC22H12F4N2O2
Molecular Weight412.34 g/mol
Exact Mass412.08
IUPAC Name2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1-c1cccc(-c2cccc(-c3c(O)cc(F)cc3F)n2)n1
InChIInChI=1S/C22H12F4N2O2/c23-11-7-13(25)21(19(29)9-11)17-5-1-3-15(27-17)16-4-2-6-18(28-16)22-14(26)8-12(24)10-20(22)30/h1-10,29-30H
InChIKeyXCIZLNQYKYQWHH-UHFFFAOYSA-N
XLogP5.45
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.34
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol with MolForge

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Related Compounds

2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
2-(3-Phenylquinoxalin-2-yl)phenol
CID 2065030
2-Fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
CID 134158354
Quininib
CID 135411330
4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
4-[6-(4-Hydroxyphenyl)pyridin-2-yl]phenol
CID 647743
4-[2,6-Bis(4-hydroxyphenyl)-4-pyridinyl]phenol
CID 136236482
2,6-Bis(3-hydroxyphenyl)-4-phenylpyridine
CID 46887181
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217
3-[2,6-Bis(3-hydroxyphenyl)-4-pyridinyl]phenol
CID 118710766
4-[2-(4-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136126509

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol?
The IUPAC name of 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol (CID 135975773) is 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol.
What is the SMILES notation for 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol?
The canonical SMILES for 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol is Oc1cc(F)cc(F)c1-c1cccc(-c2cccc(-c3c(O)cc(F)cc3F)n2)n1.
What is the InChIKey of 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol?
The InChIKey is XCIZLNQYKYQWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F4N2O2/c23-11-7-13(25)21(19(29)9-11)17-5-1-3-15(27-17)16-4-2-6-18(28-16)22-14(26)8-12(24)10-20(22)30/h1-10,29-30H.
What are the key properties of 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol?
2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol has a molecular weight of 412.34 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol is sourced from PubChem (CID 135975773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).