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

C17H10F4N2O2 — CID 131953527

IUPAC4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol
SMILESNc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23)
InChIKeyFFWVPGLOKRROCI-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.97
Rot. Bonds2

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

4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol (PubChem CID 131953527) has the molecular formula C17H10F4N2O2 and a molecular weight of 350.27 g/mol. Its IUPAC name is 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol
PubChem CID131953527
Molecular FormulaC17H10F4N2O2
Molecular Weight350.27 g/mol
Exact Mass350.07
IUPAC Name4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol
SMILESNc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23)
InChIKeyFFWVPGLOKRROCI-UHFFFAOYSA-N
XLogP3.97
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol?
The IUPAC name of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol (CID 131953527) is 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol?
The canonical SMILES for 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol is Nc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol?
The InChIKey is FFWVPGLOKRROCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23).
What are the key properties of 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol?
4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol has a molecular weight of 350.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)-3-pyridinyl]-2,6-difluorophenol is sourced from PubChem (CID 131953527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).