1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol

C13H9F3N2O — CID 89240984

IUPAC1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol
SMILESC=C(O)c1nc(-c2c(F)cccc2F)c(F)cc1N
InChIInChI=1S/C13H9F3N2O/c1-6(19)12-10(17)5-9(16)13(18-12)11-7(14)3-2-4-8(11)15/h2-5,19H,1,17H2
InChIKeyZDFHDSVFERLMPK-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.28
Rot. Bonds2

About 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol

1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol (PubChem CID 89240984) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol.

Molecular Properties

Compound Name1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol
PubChem CID89240984
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol
SMILESC=C(O)c1nc(-c2c(F)cccc2F)c(F)cc1N
InChIInChI=1S/C13H9F3N2O/c1-6(19)12-10(17)5-9(16)13(18-12)11-7(14)3-2-4-8(11)15/h2-5,19H,1,17H2
InChIKeyZDFHDSVFERLMPK-UHFFFAOYSA-N
XLogP3.28
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
The IUPAC name of 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol (CID 89240984) is 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol.
What is the SMILES notation for 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
The canonical SMILES for 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol is C=C(O)c1nc(-c2c(F)cccc2F)c(F)cc1N.
What is the InChIKey of 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
The InChIKey is ZDFHDSVFERLMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-6(19)12-10(17)5-9(16)13(18-12)11-7(14)3-2-4-8(11)15/h2-5,19H,1,17H2.
What are the key properties of 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol has a molecular weight of 266.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol is sourced from PubChem (CID 89240984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).