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

C14H13Cl2N3O — CID 11232129

IUPAC5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine
SMILESClc1ccc(-c2cc(OC[C@@H]3CCN3)cnc2Cl)cn1
InChIInChI=1S/C14H13Cl2N3O/c15-13-2-1-9(6-18-13)12-5-11(7-19-14(12)16)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1
InChIKeyXMMKVGOTXQWUPW-JTQLQIEISA-N
MW310.18 g/mol
LogP3.19
Rot. Bonds4

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

5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine (PubChem CID 11232129) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine.

Molecular Properties

Compound Name5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine
PubChem CID11232129
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine
SMILESClc1ccc(-c2cc(OC[C@@H]3CCN3)cnc2Cl)cn1
InChIInChI=1S/C14H13Cl2N3O/c15-13-2-1-9(6-18-13)12-5-11(7-19-14(12)16)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1
InChIKeyXMMKVGOTXQWUPW-JTQLQIEISA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine?
The IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine (CID 11232129) is 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine.
What is the SMILES notation for 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine?
The canonical SMILES for 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine is Clc1ccc(-c2cc(OC[C@@H]3CCN3)cnc2Cl)cn1.
What is the InChIKey of 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine?
The InChIKey is XMMKVGOTXQWUPW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-13-2-1-9(6-18-13)12-5-11(7-19-14(12)16)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1.
What are the key properties of 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine?
5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine has a molecular weight of 310.18 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(6-chloro-3-pyridinyl)pyridine is sourced from PubChem (CID 11232129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).