2-chloro-5-ethenylpyridine;ethane

C13H24ClN — CID 143380125

IUPAC2-chloro-5-ethenylpyridine;ethane
SMILESC=Cc1ccc(Cl)nc1.CC.CC.CC
InChIInChI=1S/C7H6ClN.3C2H6/c1-2-6-3-4-7(8)9-5-6;3*1-2/h2-5H,1H2;3*1-2H3
InChIKeyUVJKQIHARPARHO-UHFFFAOYSA-N
MW229.79 g/mol
LogP5.46
Rot. Bonds1

About 2-chloro-5-ethenylpyridine;ethane

2-chloro-5-ethenylpyridine;ethane (PubChem CID 143380125) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 2-chloro-5-ethenylpyridine;ethane.

Molecular Properties

Compound Name2-chloro-5-ethenylpyridine;ethane
PubChem CID143380125
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name2-chloro-5-ethenylpyridine;ethane
SMILESC=Cc1ccc(Cl)nc1.CC.CC.CC
InChIInChI=1S/C7H6ClN.3C2H6/c1-2-6-3-4-7(8)9-5-6;3*1-2/h2-5H,1H2;3*1-2H3
InChIKeyUVJKQIHARPARHO-UHFFFAOYSA-N
XLogP5.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.79
LogP ≤ 55.46
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

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CID 56977601
5-ethenyl-2-methylpyridine
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(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
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4-(6-chloro-3-pyridinyl)but-3-ene-1-thiol
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4-(6-chloro-3-pyridinyl)but-3-en-1-amine
CID 170486456
3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
CID 87138561
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
1-chloro-4-ethenylbenzene;ethanol
CID 175389019
(6-chloro-3-pyridinyl)-trimethylstannane
CID 86593850
5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine
CID 59499015

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethenylpyridine;ethane?
The IUPAC name of 2-chloro-5-ethenylpyridine;ethane (CID 143380125) is 2-chloro-5-ethenylpyridine;ethane.
What is the SMILES notation for 2-chloro-5-ethenylpyridine;ethane?
The canonical SMILES for 2-chloro-5-ethenylpyridine;ethane is C=Cc1ccc(Cl)nc1.CC.CC.CC.
What is the InChIKey of 2-chloro-5-ethenylpyridine;ethane?
The InChIKey is UVJKQIHARPARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN.3C2H6/c1-2-6-3-4-7(8)9-5-6;3*1-2/h2-5H,1H2;3*1-2H3.
What are the key properties of 2-chloro-5-ethenylpyridine;ethane?
2-chloro-5-ethenylpyridine;ethane has a molecular weight of 229.79 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethenylpyridine;ethane is sourced from PubChem (CID 143380125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).