5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine

C14H11ClFN — CID 68822099

IUPAC5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(/C=C/CCl)cn2)cc1
InChIInChI=1S/C14H11ClFN/c15-9-1-2-11-3-8-14(17-10-11)12-4-6-13(16)7-5-12/h1-8,10H,9H2/b2-1+
InChIKeyDFQWHWJZCCTUDS-OWOJBTEDSA-N
MW247.70 g/mol
LogP4.14
Rot. Bonds3

About 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine

5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine (PubChem CID 68822099) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine
PubChem CID68822099
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC Name5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(/C=C/CCl)cn2)cc1
InChIInChI=1S/C14H11ClFN/c15-9-1-2-11-3-8-14(17-10-11)12-4-6-13(16)7-5-12/h1-8,10H,9H2/b2-1+
InChIKeyDFQWHWJZCCTUDS-OWOJBTEDSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine
CID 33036
Pheniramine
CID 4761
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2,4-Dimethylpyridine
CID 7936

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine?
The IUPAC name of 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine (CID 68822099) is 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine.
What is the SMILES notation for 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine?
The canonical SMILES for 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine is Fc1ccc(-c2ccc(/C=C/CCl)cn2)cc1.
What is the InChIKey of 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine?
The InChIKey is DFQWHWJZCCTUDS-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H11ClFN/c15-9-1-2-11-3-8-14(17-10-11)12-4-6-13(16)7-5-12/h1-8,10H,9H2/b2-1+.
What are the key properties of 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine?
5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine has a molecular weight of 247.70 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine is sourced from PubChem (CID 68822099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).