2-[4-(3-chloroprop-1-enyl)phenyl]pyridine

C14H12ClN — CID 169478068

IUPAC2-[4-(3-chloroprop-1-enyl)phenyl]pyridine
SMILESClCC=Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H12ClN/c15-10-3-4-12-6-8-13(9-7-12)14-5-1-2-11-16-14/h1-9,11H,10H2
InChIKeyCIGSRTQRNFLDLZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP4.00
Rot. Bonds3

About 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine

2-[4-(3-chloroprop-1-enyl)phenyl]pyridine (PubChem CID 169478068) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(3-chloroprop-1-enyl)phenyl]pyridine
PubChem CID169478068
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name2-[4-(3-chloroprop-1-enyl)phenyl]pyridine
SMILESClCC=Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H12ClN/c15-10-3-4-12-6-8-13(9-7-12)14-5-1-2-11-16-14/h1-9,11H,10H2
InChIKeyCIGSRTQRNFLDLZ-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.00
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

O-[(E)-3-(4-pyridin-2-ylphenyl)prop-2-enyl]hydroxylamine
CID 22631257
5-(3-chloroprop-1-enyl)-2-(4-fluorophenyl)pyridine
CID 68822102
5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine
CID 68822099
4-[(E)-3-chloroprop-1-enyl]pyridine
CID 19985704
(4-pyridin-2-ylphenyl)methylidenehydrazine
CID 67924513
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
formyl chloride;2-phenylpyridine
CID 175066008
2-(4-methylphenyl)pyridine;silver
CID 121395993
CID 88530161
CID 88530161
1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene
CID 125465400
2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine
CID 11034223
hydrazine;2-phenylpyridine
CID 158673997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine?
The IUPAC name of 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine (CID 169478068) is 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine?
The canonical SMILES for 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine is ClCC=Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine?
The InChIKey is CIGSRTQRNFLDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c15-10-3-4-12-6-8-13(9-7-12)14-5-1-2-11-16-14/h1-9,11H,10H2.
What are the key properties of 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine?
2-[4-(3-chloroprop-1-enyl)phenyl]pyridine has a molecular weight of 229.71 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloroprop-1-enyl)phenyl]pyridine is sourced from PubChem (CID 169478068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).