2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol

C19H13F2NO2 — CID 134158354

IUPAC2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol
SMILESC=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1
InChIInChI=1S/C19H13F2NO2/c1-11(12-8-9-14(20)18(24)10-12)15-5-3-6-16(22-15)13-4-2-7-17(23)19(13)21/h2-10,23-24H,1H2
InChIKeyLSHVGZUGKOCADJ-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.50
Rot. Bonds3

About 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol

2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol (PubChem CID 134158354) has the molecular formula C19H13F2NO2 and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol
PubChem CID134158354
Molecular FormulaC19H13F2NO2
Molecular Weight325.31 g/mol
Exact Mass325.09
IUPAC Name2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol
SMILESC=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1
InChIInChI=1S/C19H13F2NO2/c1-11(12-8-9-14(20)18(24)10-12)15-5-3-6-16(22-15)13-4-2-7-17(23)19(13)21/h2-10,23-24H,1H2
InChIKeyLSHVGZUGKOCADJ-UHFFFAOYSA-N
XLogP4.50
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol (CID 134158354) is 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol is C=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1.
What is the InChIKey of 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol?
The InChIKey is LSHVGZUGKOCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO2/c1-11(12-8-9-14(20)18(24)10-12)15-5-3-6-16(22-15)13-4-2-7-17(23)19(13)21/h2-10,23-24H,1H2.
What are the key properties of 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol?
2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol has a molecular weight of 325.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 134158354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).