2-chloro-3-(1-phenylethenyl)pyridine

C13H10ClN — CID 102526031

IUPAC2-chloro-3-(1-phenylethenyl)pyridine
SMILESC=C(c1ccccc1)c1cccnc1Cl
InChIInChI=1S/C13H10ClN/c1-10(11-6-3-2-4-7-11)12-8-5-9-15-13(12)14/h2-9H,1H2
InChIKeyGEIAIDVINAEDDL-UHFFFAOYSA-N
MW215.68 g/mol
LogP3.80
Rot. Bonds2

About 2-chloro-3-(1-phenylethenyl)pyridine

2-chloro-3-(1-phenylethenyl)pyridine (PubChem CID 102526031) has the molecular formula C13H10ClN and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-3-(1-phenylethenyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(1-phenylethenyl)pyridine
PubChem CID102526031
Molecular FormulaC13H10ClN
Molecular Weight215.68 g/mol
Exact Mass215.05
IUPAC Name2-chloro-3-(1-phenylethenyl)pyridine
SMILESC=C(c1ccccc1)c1cccnc1Cl
InChIInChI=1S/C13H10ClN/c1-10(11-6-3-2-4-7-11)12-8-5-9-15-13(12)14/h2-9H,1H2
InChIKeyGEIAIDVINAEDDL-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 53.80
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

N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
3-(2-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 18331345
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one
CID 141150600
potassium 1-phenylethenylbenzene
CID 19358731
1-phenylethenylbenzene;hydrochloride
CID 70400725
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515323
3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine
CID 101472817
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
azane;2,3-dichloropyridine
CID 174689212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-phenylethenyl)pyridine?
The IUPAC name of 2-chloro-3-(1-phenylethenyl)pyridine (CID 102526031) is 2-chloro-3-(1-phenylethenyl)pyridine.
What is the SMILES notation for 2-chloro-3-(1-phenylethenyl)pyridine?
The canonical SMILES for 2-chloro-3-(1-phenylethenyl)pyridine is C=C(c1ccccc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(1-phenylethenyl)pyridine?
The InChIKey is GEIAIDVINAEDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN/c1-10(11-6-3-2-4-7-11)12-8-5-9-15-13(12)14/h2-9H,1H2.
What are the key properties of 2-chloro-3-(1-phenylethenyl)pyridine?
2-chloro-3-(1-phenylethenyl)pyridine has a molecular weight of 215.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-phenylethenyl)pyridine is sourced from PubChem (CID 102526031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).