3-iodo-2-(3-methylazetidin-1-yl)pyridine

C9H11IN2 — CID 170381224

IUPAC3-iodo-2-(3-methylazetidin-1-yl)pyridine
SMILESCC1CN(c2ncccc2I)C1
InChIInChI=1S/C9H11IN2/c1-7-5-12(6-7)9-8(10)3-2-4-11-9/h2-4,7H,5-6H2,1H3
InChIKeyOFGRCDMHGYJRCP-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.14
Rot. Bonds1

About 3-iodo-2-(3-methylazetidin-1-yl)pyridine

3-iodo-2-(3-methylazetidin-1-yl)pyridine (PubChem CID 170381224) has the molecular formula C9H11IN2 and a molecular weight of 274.10 g/mol. Its IUPAC name is 3-iodo-2-(3-methylazetidin-1-yl)pyridine.

Molecular Properties

Compound Name3-iodo-2-(3-methylazetidin-1-yl)pyridine
PubChem CID170381224
Molecular FormulaC9H11IN2
Molecular Weight274.10 g/mol
Exact Mass274.00
IUPAC Name3-iodo-2-(3-methylazetidin-1-yl)pyridine
SMILESCC1CN(c2ncccc2I)C1
InChIInChI=1S/C9H11IN2/c1-7-5-12(6-7)9-8(10)3-2-4-11-9/h2-4,7H,5-6H2,1H3
InChIKeyOFGRCDMHGYJRCP-UHFFFAOYSA-N
XLogP2.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-methylazetidin-1-yl)pyridine
CID 103094608
[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol
CID 130606478
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-amine
CID 28845965
1-ethyl-4-(3-iodo-2-pyridinyl)piperazine
CID 155387467
3-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61256999
[(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol
CID 129497788
2-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
CID 103530537
[2-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 61223462
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774989
1-(3-fluoro-2-pyridinyl)-4-methylpyrrolidin-3-amine
CID 103577365
2-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 102568303

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(3-methylazetidin-1-yl)pyridine?
The IUPAC name of 3-iodo-2-(3-methylazetidin-1-yl)pyridine (CID 170381224) is 3-iodo-2-(3-methylazetidin-1-yl)pyridine.
What is the SMILES notation for 3-iodo-2-(3-methylazetidin-1-yl)pyridine?
The canonical SMILES for 3-iodo-2-(3-methylazetidin-1-yl)pyridine is CC1CN(c2ncccc2I)C1.
What is the InChIKey of 3-iodo-2-(3-methylazetidin-1-yl)pyridine?
The InChIKey is OFGRCDMHGYJRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2/c1-7-5-12(6-7)9-8(10)3-2-4-11-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-iodo-2-(3-methylazetidin-1-yl)pyridine?
3-iodo-2-(3-methylazetidin-1-yl)pyridine has a molecular weight of 274.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(3-methylazetidin-1-yl)pyridine is sourced from PubChem (CID 170381224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).