2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine

C14H19ClN2O2 — CID 18459045

IUPAC2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESC=C(OCC)c1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-3-18-10(2)13-7-12(8-17-14(13)15)19-9-11-5-4-6-16-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyJNXCTQCRNHPWCL-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.87
Rot. Bonds6

About 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine

2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 18459045) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID18459045
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESC=C(OCC)c1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-3-18-10(2)13-7-12(8-17-14(13)15)19-9-11-5-4-6-16-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyJNXCTQCRNHPWCL-UHFFFAOYSA-N
XLogP2.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 18459045) is 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine is C=C(OCC)c1cc(OCC2CCCN2)cnc1Cl.
What is the InChIKey of 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is JNXCTQCRNHPWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-18-10(2)13-7-12(8-17-14(13)15)19-9-11-5-4-6-16-11/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine?
2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 282.77 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-ethoxyethenyl)-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 18459045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).