2-iodo-3-(2-methoxyethoxy)-6-methylpyridine

C9H12INO2 — CID 165369092

IUPAC2-iodo-3-(2-methoxyethoxy)-6-methylpyridine
SMILESCOCCOc1ccc(C)nc1I
InChIInChI=1S/C9H12INO2/c1-7-3-4-8(9(10)11-7)13-6-5-12-2/h3-4H,5-6H2,1-2H3
InChIKeyKKLVEJNYQCUIEB-UHFFFAOYSA-N
MW293.10 g/mol
LogP2.02
Rot. Bonds4

About 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine

2-iodo-3-(2-methoxyethoxy)-6-methylpyridine (PubChem CID 165369092) has the molecular formula C9H12INO2 and a molecular weight of 293.10 g/mol. Its IUPAC name is 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-iodo-3-(2-methoxyethoxy)-6-methylpyridine
PubChem CID165369092
Molecular FormulaC9H12INO2
Molecular Weight293.10 g/mol
Exact Mass292.99
IUPAC Name2-iodo-3-(2-methoxyethoxy)-6-methylpyridine
SMILESCOCCOc1ccc(C)nc1I
InChIInChI=1S/C9H12INO2/c1-7-3-4-8(9(10)11-7)13-6-5-12-2/h3-4H,5-6H2,1-2H3
InChIKeyKKLVEJNYQCUIEB-UHFFFAOYSA-N
XLogP2.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
5-(2-methoxyethoxy)-6-methylpyridin-2-amine
CID 167709087
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol
CID 109468888
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine
CID 104560039
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
3-(3-fluoropropoxy)-6-methylpyridin-2-amine
CID 81105677
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
CID 143169475

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine?
The IUPAC name of 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine (CID 165369092) is 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine.
What is the SMILES notation for 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine?
The canonical SMILES for 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine is COCCOc1ccc(C)nc1I.
What is the InChIKey of 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine?
The InChIKey is KKLVEJNYQCUIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2/c1-7-3-4-8(9(10)11-7)13-6-5-12-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine?
2-iodo-3-(2-methoxyethoxy)-6-methylpyridine has a molecular weight of 293.10 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-(2-methoxyethoxy)-6-methylpyridine is sourced from PubChem (CID 165369092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).