3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine

C12H17ClN2O — CID 68554858

IUPAC3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine
SMILESCC(C)[C@H](Oc1cncc(Cl)c1)C1CCN1
InChIInChI=1S/C12H17ClN2O/c1-8(2)12(11-3-4-15-11)16-10-5-9(13)6-14-7-10/h5-8,11-12,15H,3-4H2,1-2H3/t11?,12-/m0/s1
InChIKeyMOHLPKSSNPBXIV-KIYNQFGBSA-N
MW240.73 g/mol
LogP2.50
Rot. Bonds4

About 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine

3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine (PubChem CID 68554858) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine.

Molecular Properties

Compound Name3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine
PubChem CID68554858
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine
SMILESCC(C)[C@H](Oc1cncc(Cl)c1)C1CCN1
InChIInChI=1S/C12H17ClN2O/c1-8(2)12(11-3-4-15-11)16-10-5-9(13)6-14-7-10/h5-8,11-12,15H,3-4H2,1-2H3/t11?,12-/m0/s1
InChIKeyMOHLPKSSNPBXIV-KIYNQFGBSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine?
The IUPAC name of 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine (CID 68554858) is 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine.
What is the SMILES notation for 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine?
The canonical SMILES for 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine is CC(C)[C@H](Oc1cncc(Cl)c1)C1CCN1.
What is the InChIKey of 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine?
The InChIKey is MOHLPKSSNPBXIV-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)12(11-3-4-15-11)16-10-5-9(13)6-14-7-10/h5-8,11-12,15H,3-4H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine?
3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine has a molecular weight of 240.73 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine is sourced from PubChem (CID 68554858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).