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

C9H10ClNO — CID 139343893

IUPAC2-chloro-6-[(E)-2-ethoxyethenyl]pyridine
SMILESCCO/C=C/c1cccc(Cl)n1
InChIInChI=1S/C9H10ClNO/c1-2-12-7-6-8-4-3-5-9(10)11-8/h3-7H,2H2,1H3/b7-6+
InChIKeyKDJPSPSGMYIWGS-VOTSOKGWSA-N
MW183.64 g/mol
LogP2.74
Rot. Bonds3

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

2-chloro-6-[(E)-2-ethoxyethenyl]pyridine (PubChem CID 139343893) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-6-[(E)-2-ethoxyethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(E)-2-ethoxyethenyl]pyridine
PubChem CID139343893
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-chloro-6-[(E)-2-ethoxyethenyl]pyridine
SMILESCCO/C=C/c1cccc(Cl)n1
InChIInChI=1S/C9H10ClNO/c1-2-12-7-6-8-4-3-5-9(10)11-8/h3-7H,2H2,1H3/b7-6+
InChIKeyKDJPSPSGMYIWGS-VOTSOKGWSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.74
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-ethoxyethenyl]pyridine?
The IUPAC name of 2-chloro-6-[(E)-2-ethoxyethenyl]pyridine (CID 139343893) is 2-chloro-6-[(E)-2-ethoxyethenyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(E)-2-ethoxyethenyl]pyridine?
The canonical SMILES for 2-chloro-6-[(E)-2-ethoxyethenyl]pyridine is CCO/C=C/c1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(E)-2-ethoxyethenyl]pyridine?
The InChIKey is KDJPSPSGMYIWGS-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-12-7-6-8-4-3-5-9(10)11-8/h3-7H,2H2,1H3/b7-6+.
What are the key properties of 2-chloro-6-[(E)-2-ethoxyethenyl]pyridine?
2-chloro-6-[(E)-2-ethoxyethenyl]pyridine has a molecular weight of 183.64 g/mol, XLogP of 2.74, 3 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-ethoxyethenyl]pyridine is sourced from PubChem (CID 139343893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).