2-chloro-6-[(E)-2-methoxyethenyl]pyridine

C8H8ClNO — CID 153330913

IUPAC2-chloro-6-[(E)-2-methoxyethenyl]pyridine
SMILESCO/C=C/c1cccc(Cl)n1
InChIInChI=1S/C8H8ClNO/c1-11-6-5-7-3-2-4-8(9)10-7/h2-6H,1H3/b6-5+
InChIKeyKSWFRKRGPLXFDW-AATRIKPKSA-N
MW169.61 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-6-[(E)-2-methoxyethenyl]pyridine

2-chloro-6-[(E)-2-methoxyethenyl]pyridine (PubChem CID 153330913) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-chloro-6-[(E)-2-methoxyethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(E)-2-methoxyethenyl]pyridine
PubChem CID153330913
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-chloro-6-[(E)-2-methoxyethenyl]pyridine
SMILESCO/C=C/c1cccc(Cl)n1
InChIInChI=1S/C8H8ClNO/c1-11-6-5-7-3-2-4-8(9)10-7/h2-6H,1H3/b6-5+
InChIKeyKSWFRKRGPLXFDW-AATRIKPKSA-N
XLogP2.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-2-methoxyethenyl]pyridine?
The IUPAC name of 2-chloro-6-[(E)-2-methoxyethenyl]pyridine (CID 153330913) is 2-chloro-6-[(E)-2-methoxyethenyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(E)-2-methoxyethenyl]pyridine?
The canonical SMILES for 2-chloro-6-[(E)-2-methoxyethenyl]pyridine is CO/C=C/c1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(E)-2-methoxyethenyl]pyridine?
The InChIKey is KSWFRKRGPLXFDW-AATRIKPKSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-11-6-5-7-3-2-4-8(9)10-7/h2-6H,1H3/b6-5+.
What are the key properties of 2-chloro-6-[(E)-2-methoxyethenyl]pyridine?
2-chloro-6-[(E)-2-methoxyethenyl]pyridine has a molecular weight of 169.61 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-2-methoxyethenyl]pyridine is sourced from PubChem (CID 153330913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).