methyl 6-(iodomethyl)pyridine-2-carboxylate

C8H8INO2 — CID 66524325

IUPACmethyl 6-(iodomethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CI)n1
InChIInChI=1S/C8H8INO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3
InChIKeyYMYKEEIINKWYBM-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.80
Rot. Bonds2

About methyl 6-(iodomethyl)pyridine-2-carboxylate

methyl 6-(iodomethyl)pyridine-2-carboxylate (PubChem CID 66524325) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is methyl 6-(iodomethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(iodomethyl)pyridine-2-carboxylate
PubChem CID66524325
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Namemethyl 6-(iodomethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CI)n1
InChIInChI=1S/C8H8INO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3
InChIKeyYMYKEEIINKWYBM-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-(methylsulfanylmethylsulfanylmethyl)pyridine-2-carboxylate
CID 175489216
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
CID 158087164
CID 158087164
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[[methylsulfanyl(sulfanyl)methoxy]methyl]pyridine-2-carboxylate
CID 175489350
methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
CID 139513796

Frequently Asked Questions

What is the IUPAC name of methyl 6-(iodomethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(iodomethyl)pyridine-2-carboxylate (CID 66524325) is methyl 6-(iodomethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(iodomethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(iodomethyl)pyridine-2-carboxylate is COC(=O)c1cccc(CI)n1.
What is the InChIKey of methyl 6-(iodomethyl)pyridine-2-carboxylate?
The InChIKey is YMYKEEIINKWYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3.
What are the key properties of methyl 6-(iodomethyl)pyridine-2-carboxylate?
methyl 6-(iodomethyl)pyridine-2-carboxylate has a molecular weight of 277.06 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(iodomethyl)pyridine-2-carboxylate is sourced from PubChem (CID 66524325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).