ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate

C10H10INO4 — CID 154776202

IUPACethyl 5-acetyloxy-6-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(I)c(OC(C)=O)c1
InChIInChI=1S/C10H10INO4/c1-3-15-10(14)7-4-8(16-6(2)13)9(11)12-5-7/h4-5H,3H2,1-2H3
InChIKeyNPDUODICOCOABP-UHFFFAOYSA-N
MW335.10 g/mol
LogP1.79
Rot. Bonds3

About ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate

ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate (PubChem CID 154776202) has the molecular formula C10H10INO4 and a molecular weight of 335.10 g/mol. Its IUPAC name is ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyloxy-6-iodopyridine-3-carboxylate
PubChem CID154776202
Molecular FormulaC10H10INO4
Molecular Weight335.10 g/mol
Exact Mass334.97
IUPAC Nameethyl 5-acetyloxy-6-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(I)c(OC(C)=O)c1
InChIInChI=1S/C10H10INO4/c1-3-15-10(14)7-4-8(16-6(2)13)9(11)12-5-7/h4-5H,3H2,1-2H3
InChIKeyNPDUODICOCOABP-UHFFFAOYSA-N
XLogP1.79
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
(5-chloro-2-iodo-3-pyridinyl) acetate
CID 171512558
ethyl 7-acetyloxy-1-methylindazole-5-carboxylate
CID 170986034
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 7-acetyloxy-2,3-dimethylbenzimidazole-5-carboxylate
CID 121004665
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
ethyl 4-[5-(2-acetyloxyphenyl)pyrimidin-2-yl]benzoate
CID 139878694
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
CID 133062104
ethyl 5,8-dioxoquinoline-3-carboxylate
CID 11053454

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate?
The IUPAC name of ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate (CID 154776202) is ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate is CCOC(=O)c1cnc(I)c(OC(C)=O)c1.
What is the InChIKey of ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate?
The InChIKey is NPDUODICOCOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO4/c1-3-15-10(14)7-4-8(16-6(2)13)9(11)12-5-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate?
ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate has a molecular weight of 335.10 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate is sourced from PubChem (CID 154776202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).