2-(2-iodoethoxy)-1,2-dihydropyridine

C7H10INO — CID 70143122

IUPAC2-(2-iodoethoxy)-1,2-dihydropyridine
SMILESICCOC1C=CC=CN1
InChIInChI=1S/C7H10INO/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5,7,9H,4,6H2
InChIKeyLFIMMLPYKGZWMB-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-iodoethoxy)-1,2-dihydropyridine

2-(2-iodoethoxy)-1,2-dihydropyridine (PubChem CID 70143122) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is 2-(2-iodoethoxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(2-iodoethoxy)-1,2-dihydropyridine
PubChem CID70143122
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name2-(2-iodoethoxy)-1,2-dihydropyridine
SMILESICCOC1C=CC=CN1
InChIInChI=1S/C7H10INO/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5,7,9H,4,6H2
InChIKeyLFIMMLPYKGZWMB-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.44
H-Bond Donors ≤ 51
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

2-(1-Iodoethoxy)-1,2-dihydropyridine
CID 17777448
2-Methoxy-1,2-dihydropyridine
CID 17887843
2-ethenyl-3,6-dihydro-2H-1,3-oxazine
CID 22754635
(2S)-2-(2-methoxyethoxy)-1,2-dihydropyridine
CID 68320761
2-iodo-2,4-dimethoxy-1H-pyridine
CID 69615217
2-(2-Methoxyethoxy)-1,2-dihydropyridine
CID 77478651
2-Propan-2-yloxy-1,2-dihydropyridine
CID 142025982
Ethane;2-propan-2-yloxy-1,2-dihydropyridine
CID 142154994
2-Ethoxy-1,2-dihydropyridine
CID 142974340
2-bromo-2-ethoxy-1H-pyridine
CID 146278372
N-ethenyl-2H-pyran-2-amine
CID 150102141
(2S)-2-methoxy-1,2-dihydropyridine
CID 173233931

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethoxy)-1,2-dihydropyridine?
The IUPAC name of 2-(2-iodoethoxy)-1,2-dihydropyridine (CID 70143122) is 2-(2-iodoethoxy)-1,2-dihydropyridine.
What is the SMILES notation for 2-(2-iodoethoxy)-1,2-dihydropyridine?
The canonical SMILES for 2-(2-iodoethoxy)-1,2-dihydropyridine is ICCOC1C=CC=CN1.
What is the InChIKey of 2-(2-iodoethoxy)-1,2-dihydropyridine?
The InChIKey is LFIMMLPYKGZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5,7,9H,4,6H2.
What are the key properties of 2-(2-iodoethoxy)-1,2-dihydropyridine?
2-(2-iodoethoxy)-1,2-dihydropyridine has a molecular weight of 251.07 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethoxy)-1,2-dihydropyridine is sourced from PubChem (CID 70143122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).