6-chloro-4-ethenyl-1-ethyl-2H-pyridine

C9H12ClN — CID 70452475

IUPAC6-chloro-4-ethenyl-1-ethyl-2H-pyridine
SMILESC=CC1=CCN(CC)C(Cl)=C1
InChIInChI=1S/C9H12ClN/c1-3-8-5-6-11(4-2)9(10)7-8/h3,5,7H,1,4,6H2,2H3
InChIKeyOHJVORJBLDJDRX-UHFFFAOYSA-N
MW169.65 g/mol
LogP2.51
Rot. Bonds2

About 6-chloro-4-ethenyl-1-ethyl-2H-pyridine

6-chloro-4-ethenyl-1-ethyl-2H-pyridine (PubChem CID 70452475) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 6-chloro-4-ethenyl-1-ethyl-2H-pyridine.

Molecular Properties

Compound Name6-chloro-4-ethenyl-1-ethyl-2H-pyridine
PubChem CID70452475
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name6-chloro-4-ethenyl-1-ethyl-2H-pyridine
SMILESC=CC1=CCN(CC)C(Cl)=C1
InChIInChI=1S/C9H12ClN/c1-3-8-5-6-11(4-2)9(10)7-8/h3,5,7H,1,4,6H2,2H3
InChIKeyOHJVORJBLDJDRX-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethenyl-1-ethyl-2H-pyridine?
The IUPAC name of 6-chloro-4-ethenyl-1-ethyl-2H-pyridine (CID 70452475) is 6-chloro-4-ethenyl-1-ethyl-2H-pyridine.
What is the SMILES notation for 6-chloro-4-ethenyl-1-ethyl-2H-pyridine?
The canonical SMILES for 6-chloro-4-ethenyl-1-ethyl-2H-pyridine is C=CC1=CCN(CC)C(Cl)=C1.
What is the InChIKey of 6-chloro-4-ethenyl-1-ethyl-2H-pyridine?
The InChIKey is OHJVORJBLDJDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-3-8-5-6-11(4-2)9(10)7-8/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 6-chloro-4-ethenyl-1-ethyl-2H-pyridine?
6-chloro-4-ethenyl-1-ethyl-2H-pyridine has a molecular weight of 169.65 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethenyl-1-ethyl-2H-pyridine is sourced from PubChem (CID 70452475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).