3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine

C13H8BrClFN — CID 134863007

IUPAC3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine
SMILESF/C(=C/c1cccnc1Cl)c1ccccc1Br
InChIInChI=1S/C13H8BrClFN/c14-11-6-2-1-5-10(11)12(16)8-9-4-3-7-17-13(9)15/h1-8H/b12-8+
InChIKeyMZKQOEUWZGWHET-XYOKQWHBSA-N
MW312.57 g/mol
LogP4.97
Rot. Bonds2

About 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine

3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine (PubChem CID 134863007) has the molecular formula C13H8BrClFN and a molecular weight of 312.57 g/mol. Its IUPAC name is 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine.

Molecular Properties

Compound Name3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine
PubChem CID134863007
Molecular FormulaC13H8BrClFN
Molecular Weight312.57 g/mol
Exact Mass310.95
IUPAC Name3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine
SMILESF/C(=C/c1cccnc1Cl)c1ccccc1Br
InChIInChI=1S/C13H8BrClFN/c14-11-6-2-1-5-10(11)12(16)8-9-4-3-7-17-13(9)15/h1-8H/b12-8+
InChIKeyMZKQOEUWZGWHET-XYOKQWHBSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(P-Chlorostyryl)pyridine
CID 219326
4-Bromo-1-chloroisoquinoline
CID 459766
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-5-phenylpyridine
CID 2762868
7-Bromo-1-Chloroisoquinoline
CID 6502024
4-(4-Chlorostyryl)pyridine
CID 735607
cis-[3-(2-Bromo-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 12930058
Zimelidine hydrochloride
CID 22313112
Pyridine, 2-(2-(chlorophenyl)vinyl)-, trans-
CID 5463445
5-Bromo-2-chloro-3-methylpyridine
CID 285434
4-(4-Bromophenyl)pyridine
CID 616283
3-Bromo-2-chloropyridine
CID 693324

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine?
The IUPAC name of 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine (CID 134863007) is 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine.
What is the SMILES notation for 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine?
The canonical SMILES for 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine is F/C(=C/c1cccnc1Cl)c1ccccc1Br.
What is the InChIKey of 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine?
The InChIKey is MZKQOEUWZGWHET-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H8BrClFN/c14-11-6-2-1-5-10(11)12(16)8-9-4-3-7-17-13(9)15/h1-8H/b12-8+.
What are the key properties of 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine?
3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine has a molecular weight of 312.57 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine is sourced from PubChem (CID 134863007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).