(E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol

C13H9Cl2NO — CID 135706632

IUPAC(E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2NO/c14-10-5-3-6-11(15)13(10)12(17)8-9-4-1-2-7-16-9/h1-8,17H/b12-8+
InChIKeyIFAZOCMFASXWQS-XYOKQWHBSA-N
MW266.13 g/mol
LogP4.44
Rot. Bonds2

About (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol

(E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol (PubChem CID 135706632) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol.

Molecular Properties

Compound Name(E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol
PubChem CID135706632
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name(E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2NO/c14-10-5-3-6-11(15)13(10)12(17)8-9-4-1-2-7-16-9/h1-8,17H/b12-8+
InChIKeyIFAZOCMFASXWQS-XYOKQWHBSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.44
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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Related Compounds

Parinol
CID 28768
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
(7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894426
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methyl}benzenol
CID 2782995
Bis-(4-chloro-phenyl)-pyridin-4-yl-methanol
CID 7330473
(4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol: (Hydrochloride)
CID 18960776
1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol
CID 31034
(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol
CID 11310145
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
2-[2-(2,4-Dichlorophenyl)vinyl]pyridine
CID 220147
1-(2-Chlorophenyl)-2-pyridin-4-ylethanol
CID 224943
4-[(2,6-Dichloro-benzyloxyimino)-methyl]-1-(3-phenyl-propyl)-pyridinium
CID 10050814

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol?
The IUPAC name of (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol (CID 135706632) is (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol.
What is the SMILES notation for (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol?
The canonical SMILES for (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol is O/C(=C/c1ccccn1)c1c(Cl)cccc1Cl.
What is the InChIKey of (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol?
The InChIKey is IFAZOCMFASXWQS-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-10-5-3-6-11(15)13(10)12(17)8-9-4-1-2-7-16-9/h1-8,17H/b12-8+.
What are the key properties of (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol?
(E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol has a molecular weight of 266.13 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dichlorophenyl)-2-pyridin-2-ylethenol is sourced from PubChem (CID 135706632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).