3-(azetidin-3-yl)-5-methylpyridine;hydrochloride

C9H13ClN2 — CID 154791506

IUPAC3-(azetidin-3-yl)-5-methylpyridine;hydrochloride
SMILESCc1cncc(C2CNC2)c1.Cl
InChIInChI=1S/C9H12N2.ClH/c1-7-2-8(4-10-3-7)9-5-11-6-9;/h2-4,9,11H,5-6H2,1H3;1H
InChIKeySJMMNTHFBGAYMB-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.50
Rot. Bonds1

About 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride

3-(azetidin-3-yl)-5-methylpyridine;hydrochloride (PubChem CID 154791506) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-methylpyridine;hydrochloride
PubChem CID154791506
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-(azetidin-3-yl)-5-methylpyridine;hydrochloride
SMILESCc1cncc(C2CNC2)c1.Cl
InChIInChI=1S/C9H12N2.ClH/c1-7-2-8(4-10-3-7)9-5-11-6-9;/h2-4,9,11H,5-6H2,1H3;1H
InChIKeySJMMNTHFBGAYMB-UHFFFAOYSA-N
XLogP1.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride (CID 154791506) is 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride is Cc1cncc(C2CNC2)c1.Cl.
What is the InChIKey of 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride?
The InChIKey is SJMMNTHFBGAYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClH/c1-7-2-8(4-10-3-7)9-5-11-6-9;/h2-4,9,11H,5-6H2,1H3;1H.
What are the key properties of 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride?
3-(azetidin-3-yl)-5-methylpyridine;hydrochloride has a molecular weight of 184.67 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-methylpyridine;hydrochloride is sourced from PubChem (CID 154791506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).