1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol

C13H8Br2ClNO — CID 166020737

IUPAC1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol
SMILESOC(=Cc1c(Br)cccc1Br)c1ccc(Cl)cn1
InChIInChI=1S/C13H8Br2ClNO/c14-10-2-1-3-11(15)9(10)6-13(18)12-5-4-8(16)7-17-12/h1-7,18H
InChIKeyQZJYSIYDUMRTAD-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.32
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol

1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol (PubChem CID 166020737) has the molecular formula C13H8Br2ClNO and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol
PubChem CID166020737
Molecular FormulaC13H8Br2ClNO
Molecular Weight389.47 g/mol
Exact Mass386.87
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol
SMILESOC(=Cc1c(Br)cccc1Br)c1ccc(Cl)cn1
InChIInChI=1S/C13H8Br2ClNO/c14-10-2-1-3-11(15)9(10)6-13(18)12-5-4-8(16)7-17-12/h1-7,18H
InChIKeyQZJYSIYDUMRTAD-UHFFFAOYSA-N
XLogP5.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol (CID 166020737) is 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol is OC(=Cc1c(Br)cccc1Br)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol?
The InChIKey is QZJYSIYDUMRTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClNO/c14-10-2-1-3-11(15)9(10)6-13(18)12-5-4-8(16)7-17-12/h1-7,18H.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol?
1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol has a molecular weight of 389.47 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol is sourced from PubChem (CID 166020737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).