3-chloro-4-(3-methylazetidin-1-yl)pyridine

C9H11ClN2 — CID 142532055

IUPAC3-chloro-4-(3-methylazetidin-1-yl)pyridine
SMILESCC1CN(c2ccncc2Cl)C1
InChIInChI=1S/C9H11ClN2/c1-7-5-12(6-7)9-2-3-11-4-8(9)10/h2-4,7H,5-6H2,1H3
InChIKeyWZHBHLNZTPXBLS-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.19
Rot. Bonds1

About 3-chloro-4-(3-methylazetidin-1-yl)pyridine

3-chloro-4-(3-methylazetidin-1-yl)pyridine (PubChem CID 142532055) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-chloro-4-(3-methylazetidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(3-methylazetidin-1-yl)pyridine
PubChem CID142532055
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name3-chloro-4-(3-methylazetidin-1-yl)pyridine
SMILESCC1CN(c2ccncc2Cl)C1
InChIInChI=1S/C9H11ClN2/c1-7-5-12(6-7)9-2-3-11-4-8(9)10/h2-4,7H,5-6H2,1H3
InChIKeyWZHBHLNZTPXBLS-UHFFFAOYSA-N
XLogP2.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methylazetidin-1-yl)pyridine?
The IUPAC name of 3-chloro-4-(3-methylazetidin-1-yl)pyridine (CID 142532055) is 3-chloro-4-(3-methylazetidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-4-(3-methylazetidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-4-(3-methylazetidin-1-yl)pyridine is CC1CN(c2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-4-(3-methylazetidin-1-yl)pyridine?
The InChIKey is WZHBHLNZTPXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-7-5-12(6-7)9-2-3-11-4-8(9)10/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-chloro-4-(3-methylazetidin-1-yl)pyridine?
3-chloro-4-(3-methylazetidin-1-yl)pyridine has a molecular weight of 182.65 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methylazetidin-1-yl)pyridine is sourced from PubChem (CID 142532055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).