3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol

C22H14F2N2O2 — CID 136859819

IUPAC3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
SMILESOc1cccc(F)c1-c1cccc(-c2cccc(-c3c(O)cccc3F)n2)n1
InChIInChI=1S/C22H14F2N2O2/c23-13-5-1-11-19(27)21(13)17-9-3-7-15(25-17)16-8-4-10-18(26-16)22-14(24)6-2-12-20(22)28/h1-12,27-28H
InChIKeyNYXRZUNZDAWQLC-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.17
Rot. Bonds3

About 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol

3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol (PubChem CID 136859819) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
PubChem CID136859819
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Name3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
SMILESOc1cccc(F)c1-c1cccc(-c2cccc(-c3c(O)cccc3F)n2)n1
InChIInChI=1S/C22H14F2N2O2/c23-13-5-1-11-19(27)21(13)17-9-3-7-15(25-17)16-8-4-10-18(26-16)22-14(24)6-2-12-20(22)28/h1-12,27-28H
InChIKeyNYXRZUNZDAWQLC-UHFFFAOYSA-N
XLogP5.17
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2-fluorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol
CID 155520557
2-(3-fluorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol
CID 155538577
2,6-Bis(3-hydroxyphenyl)-4-phenylpyridine
CID 46887181
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
The IUPAC name of 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol (CID 136859819) is 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
The canonical SMILES for 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol is Oc1cccc(F)c1-c1cccc(-c2cccc(-c3c(O)cccc3F)n2)n1.
What is the InChIKey of 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
The InChIKey is NYXRZUNZDAWQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-13-5-1-11-19(27)21(13)17-9-3-7-15(25-17)16-8-4-10-18(26-16)22-14(24)6-2-12-20(22)28/h1-12,27-28H.
What are the key properties of 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol has a molecular weight of 376.36 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol is sourced from PubChem (CID 136859819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).