1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine

C9H12ClN3 — CID 135136650

IUPAC1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C9H12ClN3/c1-11-8-5-13(6-8)9-3-2-7(10)4-12-9/h2-4,8,11H,5-6H2,1H3
InChIKeySCOVBSJPHPCIGE-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.14
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine

1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine (PubChem CID 135136650) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
PubChem CID135136650
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C9H12ClN3/c1-11-8-5-13(6-8)9-3-2-7(10)4-12-9/h2-4,8,11H,5-6H2,1H3
InChIKeySCOVBSJPHPCIGE-UHFFFAOYSA-N
XLogP1.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine (CID 135136650) is 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine is CNC1CN(c2ccc(Cl)cn2)C1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine?
The InChIKey is SCOVBSJPHPCIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-11-8-5-13(6-8)9-3-2-7(10)4-12-9/h2-4,8,11H,5-6H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine?
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine has a molecular weight of 197.67 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 135136650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).