3-(iodomethyl)-4-methoxypyridine

C7H8INO — CID 130559780

IUPAC3-(iodomethyl)-4-methoxypyridine
SMILESCOc1ccncc1CI
InChIInChI=1S/C7H8INO/c1-10-7-2-3-9-5-6(7)4-8/h2-3,5H,4H2,1H3
InChIKeyZKUNWNUJZRNAPL-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.03
Rot. Bonds2

About 3-(iodomethyl)-4-methoxypyridine

3-(iodomethyl)-4-methoxypyridine (PubChem CID 130559780) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is 3-(iodomethyl)-4-methoxypyridine.

Molecular Properties

Compound Name3-(iodomethyl)-4-methoxypyridine
PubChem CID130559780
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC Name3-(iodomethyl)-4-methoxypyridine
SMILESCOc1ccncc1CI
InChIInChI=1S/C7H8INO/c1-10-7-2-3-9-5-6(7)4-8/h2-3,5H,4H2,1H3
InChIKeyZKUNWNUJZRNAPL-UHFFFAOYSA-N
XLogP2.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.03
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

ethane;4-methoxy-3-propylpyridine
CID 176962232
4-methoxy-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130559478
4-methoxypyridine-3-thiolate
CID 156636966
4-[(4-methoxy-3-pyridinyl)methyl]thiolan-3-one
CID 130559562
1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 130565658
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
CID 81235555
4-methoxypyridine-3-carboxylate
CID 26119064
4-(2,2-dimethylpropyl)-3-methoxypyridine
CID 59574628
(3-methoxy-4-pyridinyl) carbamate
CID 90285344

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-4-methoxypyridine?
The IUPAC name of 3-(iodomethyl)-4-methoxypyridine (CID 130559780) is 3-(iodomethyl)-4-methoxypyridine.
What is the SMILES notation for 3-(iodomethyl)-4-methoxypyridine?
The canonical SMILES for 3-(iodomethyl)-4-methoxypyridine is COc1ccncc1CI.
What is the InChIKey of 3-(iodomethyl)-4-methoxypyridine?
The InChIKey is ZKUNWNUJZRNAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c1-10-7-2-3-9-5-6(7)4-8/h2-3,5H,4H2,1H3.
What are the key properties of 3-(iodomethyl)-4-methoxypyridine?
3-(iodomethyl)-4-methoxypyridine has a molecular weight of 249.05 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-4-methoxypyridine is sourced from PubChem (CID 130559780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).