2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C15H15Cl2N3O2 — CID 45273506

IUPAC2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESClc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1
InChIInChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1
InChIKeyROZDWXUZSYSLTR-JTQLQIEISA-N
MW340.21 g/mol
LogP3.71
Rot. Bonds5

About 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 45273506) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID45273506
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESClc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1
InChIInChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1
InChIKeyROZDWXUZSYSLTR-JTQLQIEISA-N
XLogP3.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 45273506) is 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1.
What is the InChIKey of 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is ROZDWXUZSYSLTR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1.
What are the key properties of 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 340.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(6-chloro-3-pyridinyl)oxy]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 45273506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).