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

C22H14F2N2O2 — CID 135456015

IUPAC2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
SMILESOc1c(F)cccc1-c1cccc(-c2cccc(-c3cccc(F)c3O)n2)n1
InChIInChI=1S/C22H14F2N2O2/c23-15-7-1-5-13(21(15)27)17-9-3-11-19(25-17)20-12-4-10-18(26-20)14-6-2-8-16(24)22(14)28/h1-12,27-28H
InChIKeyNQSNDDZAFOWHAZ-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.17
Rot. Bonds3

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

2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol (PubChem CID 135456015) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
PubChem CID135456015
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Name2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
SMILESOc1c(F)cccc1-c1cccc(-c2cccc(-c3cccc(F)c3O)n2)n1
InChIInChI=1S/C22H14F2N2O2/c23-15-7-1-5-13(21(15)27)17-9-3-11-19(25-17)20-12-4-10-18(26-20)14-6-2-8-16(24)22(14)28/h1-12,27-28H
InChIKeyNQSNDDZAFOWHAZ-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
The IUPAC name of 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol (CID 135456015) is 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol is Oc1c(F)cccc1-c1cccc(-c2cccc(-c3cccc(F)c3O)n2)n1.
What is the InChIKey of 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
The InChIKey is NQSNDDZAFOWHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-15-7-1-5-13(21(15)27)17-9-3-11-19(25-17)20-12-4-10-18(26-20)14-6-2-8-16(24)22(14)28/h1-12,27-28H.
What are the key properties of 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol?
2-fluoro-6-[6-[6-(3-fluoro-2-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 2-fluoro-6-[6-[6-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol is sourced from PubChem (CID 135456015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).