5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine

C14H14ClN3O — CID 11161698

IUPAC5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine
SMILESClc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1
InChIInChI=1S/C14H14ClN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1
InChIKeyBHZUMHSBELOKKN-NSHDSACASA-N
MW275.74 g/mol
LogP2.54
Rot. Bonds4

About 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine

5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine (PubChem CID 11161698) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine.

Molecular Properties

Compound Name5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine
PubChem CID11161698
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine
SMILESClc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1
InChIInChI=1S/C14H14ClN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1
InChIKeyBHZUMHSBELOKKN-NSHDSACASA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.54
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-pyridin-3-ylpyridine?
The IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine (CID 11161698) is 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine.
What is the SMILES notation for 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine?
The canonical SMILES for 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine is Clc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1.
What is the InChIKey of 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine?
The InChIKey is BHZUMHSBELOKKN-NSHDSACASA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1.
What are the key properties of 5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine?
5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-pyridin-3-ylpyridine has a molecular weight of 275.74 g/mol, XLogP of 2.54, 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-pyridin-3-ylpyridine is sourced from PubChem (CID 11161698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).