(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol

C13H9ClFNO — CID 137298655

IUPAC(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFNO/c14-10-5-3-6-11(15)13(10)12(17)8-9-4-1-2-7-16-9/h1-8,17H/b12-8+
InChIKeyLTKBSMDORARHNP-XYOKQWHBSA-N
MW249.67 g/mol
LogP3.93
Rot. Bonds2

About (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol

(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol (PubChem CID 137298655) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol.

Molecular Properties

Compound Name(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol
PubChem CID137298655
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFNO/c14-10-5-3-6-11(15)13(10)12(17)8-9-4-1-2-7-16-9/h1-8,17H/b12-8+
InChIKeyLTKBSMDORARHNP-XYOKQWHBSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.93
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

(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methyl}benzenol
CID 2782995
Bis-(4-chloro-phenyl)-pyridin-4-yl-methanol
CID 7330473
(7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11188910
(4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol: (Hydrochloride)
CID 18960776
(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol
CID 11310145
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
1-(2-Chlorophenyl)-2-pyridin-4-ylethanol
CID 224943
(2,4-Dichlorophenyl)-(4-fluorophenyl)-pyridin-3-ylmethanol
CID 44356731
(4-Chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
CID 56668900
(4-Chlorophenyl)-(2-fluorophenyl)-pyridin-3-ylmethanol
CID 56669183
(4-Chlorophenyl)-(2,4-difluorophenyl)-pyridin-3-ylmethanol
CID 56675888

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol?
The IUPAC name of (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol (CID 137298655) is (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol.
What is the SMILES notation for (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol?
The canonical SMILES for (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol is O/C(=C/c1ccccn1)c1c(F)cccc1Cl.
What is the InChIKey of (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol?
The InChIKey is LTKBSMDORARHNP-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H9ClFNO/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-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol?
(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol has a molecular weight of 249.67 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethenol is sourced from PubChem (CID 137298655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).