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

C7H4BrClFN — CID 166873774

IUPAC2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine
SMILESF/C(Br)=C\c1ncccc1Cl
InChIInChI=1S/C7H4BrClFN/c8-7(10)4-6-5(9)2-1-3-11-6/h1-4H/b7-4-
InChIKeyHXSXYRIEIGBDBC-DAXSKMNVSA-N
MW236.47 g/mol
LogP3.40
Rot. Bonds1

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

2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine (PubChem CID 166873774) has the molecular formula C7H4BrClFN and a molecular weight of 236.47 g/mol. Its IUPAC name is 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine.

Molecular Properties

Compound Name2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine
PubChem CID166873774
Molecular FormulaC7H4BrClFN
Molecular Weight236.47 g/mol
Exact Mass234.92
IUPAC Name2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine
SMILESF/C(Br)=C\c1ncccc1Cl
InChIInChI=1S/C7H4BrClFN/c8-7(10)4-6-5(9)2-1-3-11-6/h1-4H/b7-4-
InChIKeyHXSXYRIEIGBDBC-DAXSKMNVSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-(3-chloro-2-pyridinyl)ethenamine
CID 176928327
3-(3-chloro-2-pyridinyl)prop-2-enal
CID 169458667
2-[2-(2-chlorophenyl)ethenyl]pyridin-3-ol
CID 54048718
3-chloropyridine-2-carbonyl chloride
CID 45081497
methyl 4-(3-chloro-2-pyridinyl)but-3-enoate
CID 170500349
S-[3-(3-chloro-2-pyridinyl)prop-2-enyl] ethanethioate
CID 169456653
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
azane;2,3-dichloropyridine
CID 174689212
ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
CID 58678578
tert-butyl N-[4-(3-chloro-2-pyridinyl)but-3-enyl]carbamate
CID 170489906
2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 134967930
2-(4-azidobut-1-enyl)-3-chloropyridine
CID 170484737

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine?
The IUPAC name of 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine (CID 166873774) is 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine.
What is the SMILES notation for 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine?
The canonical SMILES for 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine is F/C(Br)=C\c1ncccc1Cl.
What is the InChIKey of 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine?
The InChIKey is HXSXYRIEIGBDBC-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H4BrClFN/c8-7(10)4-6-5(9)2-1-3-11-6/h1-4H/b7-4-.
What are the key properties of 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine?
2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine has a molecular weight of 236.47 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromo-2-fluoroethenyl]-3-chloropyridine is sourced from PubChem (CID 166873774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).