ethyl 6-amino-5-iodopyridine-3-carboxylate

C8H9IN2O2 — CID 67057368

IUPACethyl 6-amino-5-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N)c(I)c1
InChIInChI=1S/C8H9IN2O2/c1-2-13-8(12)5-3-6(9)7(10)11-4-5/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyXEKIJVJYDUVNCP-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.45
Rot. Bonds2

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

ethyl 6-amino-5-iodopyridine-3-carboxylate (PubChem CID 67057368) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is ethyl 6-amino-5-iodopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-iodopyridine-3-carboxylate
PubChem CID67057368
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Nameethyl 6-amino-5-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N)c(I)c1
InChIInChI=1S/C8H9IN2O2/c1-2-13-8(12)5-3-6(9)7(10)11-4-5/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyXEKIJVJYDUVNCP-UHFFFAOYSA-N
XLogP1.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate
CID 154776202
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
ethyl 5-iodo-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 70296682
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
ethyl 3-bromo-5-iodo-4-methylbenzoate
CID 79884560
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
ethyl 5,8-dioxoquinoline-3-carboxylate
CID 11053454
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-iodopyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-iodopyridine-3-carboxylate (CID 67057368) is ethyl 6-amino-5-iodopyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-iodopyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-iodopyridine-3-carboxylate is CCOC(=O)c1cnc(N)c(I)c1.
What is the InChIKey of ethyl 6-amino-5-iodopyridine-3-carboxylate?
The InChIKey is XEKIJVJYDUVNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O2/c1-2-13-8(12)5-3-6(9)7(10)11-4-5/h3-4H,2H2,1H3,(H2,10,11).
What are the key properties of ethyl 6-amino-5-iodopyridine-3-carboxylate?
ethyl 6-amino-5-iodopyridine-3-carboxylate has a molecular weight of 292.08 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-iodopyridine-3-carboxylate is sourced from PubChem (CID 67057368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).