5-ethyl-2-(3-iodoazetidin-1-yl)pyridine

C10H13IN2 — CID 88994935

IUPAC5-ethyl-2-(3-iodoazetidin-1-yl)pyridine
SMILESCCc1ccc(N2CC(I)C2)nc1
InChIInChI=1S/C10H13IN2/c1-2-8-3-4-10(12-5-8)13-6-9(11)7-13/h3-5,9H,2,6-7H2,1H3
InChIKeyBJDZUYKDHKUCPQ-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.27
Rot. Bonds2

About 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine

5-ethyl-2-(3-iodoazetidin-1-yl)pyridine (PubChem CID 88994935) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine.

Molecular Properties

Compound Name5-ethyl-2-(3-iodoazetidin-1-yl)pyridine
PubChem CID88994935
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name5-ethyl-2-(3-iodoazetidin-1-yl)pyridine
SMILESCCc1ccc(N2CC(I)C2)nc1
InChIInChI=1S/C10H13IN2/c1-2-8-3-4-10(12-5-8)13-6-9(11)7-13/h3-5,9H,2,6-7H2,1H3
InChIKeyBJDZUYKDHKUCPQ-UHFFFAOYSA-N
XLogP2.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
CID 177167295
(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine
CID 129268309
[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
1-[4-(5-ethyl-2-pyridinyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 70962971
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
5-ethyl-2-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]pyridine
CID 178164965
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 80633426
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
CID 115560518
[6-(4-propylpiperidin-1-yl)-3-pyridinyl]methanol
CID 62205775

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine?
The IUPAC name of 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine (CID 88994935) is 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine.
What is the SMILES notation for 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine?
The canonical SMILES for 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine is CCc1ccc(N2CC(I)C2)nc1.
What is the InChIKey of 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine?
The InChIKey is BJDZUYKDHKUCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2/c1-2-8-3-4-10(12-5-8)13-6-9(11)7-13/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine?
5-ethyl-2-(3-iodoazetidin-1-yl)pyridine has a molecular weight of 288.13 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-iodoazetidin-1-yl)pyridine is sourced from PubChem (CID 88994935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).