4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol

C15H14BrNO3 — CID 46905980

IUPAC4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol
SMILESOCCOc1ncc(/C=C\c2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H14BrNO3/c16-14-9-12(10-17-15(14)20-8-7-18)2-1-11-3-5-13(19)6-4-11/h1-6,9-10,18-19H,7-8H2/b2-1-
InChIKeyNYTATACAIMLSHB-UPHRSURJSA-N
MW336.19 g/mol
LogP3.09
Rot. Bonds5

About 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol

4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol (PubChem CID 46905980) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol
PubChem CID46905980
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol
SMILESOCCOc1ncc(/C=C\c2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H14BrNO3/c16-14-9-12(10-17-15(14)20-8-7-18)2-1-11-3-5-13(19)6-4-11/h1-6,9-10,18-19H,7-8H2/b2-1-
InChIKeyNYTATACAIMLSHB-UPHRSURJSA-N
XLogP3.09
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol?
The IUPAC name of 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol (CID 46905980) is 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol.
What is the SMILES notation for 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol?
The canonical SMILES for 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol is OCCOc1ncc(/C=C\c2ccc(O)cc2)cc1Br.
What is the InChIKey of 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol?
The InChIKey is NYTATACAIMLSHB-UPHRSURJSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-14-9-12(10-17-15(14)20-8-7-18)2-1-11-3-5-13(19)6-4-11/h1-6,9-10,18-19H,7-8H2/b2-1-.
What are the key properties of 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol?
4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol has a molecular weight of 336.19 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[5-bromo-6-(2-hydroxyethoxy)-3-pyridinyl]ethenyl]phenol is sourced from PubChem (CID 46905980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).