methyl 5-amino-6-iodopyridine-2-carboxylate

C7H7IN2O2 — CID 53485922

IUPACmethyl 5-amino-6-iodopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(I)n1
InChIInChI=1S/C7H7IN2O2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,9H2,1H3
InChIKeyXYAWLFXZOHDXKP-UHFFFAOYSA-N
MW278.05 g/mol
LogP1.05
Rot. Bonds1

About methyl 5-amino-6-iodopyridine-2-carboxylate

methyl 5-amino-6-iodopyridine-2-carboxylate (PubChem CID 53485922) has the molecular formula C7H7IN2O2 and a molecular weight of 278.05 g/mol. Its IUPAC name is methyl 5-amino-6-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-iodopyridine-2-carboxylate
PubChem CID53485922
Molecular FormulaC7H7IN2O2
Molecular Weight278.05 g/mol
Exact Mass277.96
IUPAC Namemethyl 5-amino-6-iodopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(I)n1
InChIInChI=1S/C7H7IN2O2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,9H2,1H3
InChIKeyXYAWLFXZOHDXKP-UHFFFAOYSA-N
XLogP1.05
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-iodopyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-iodopyridine-2-carboxylate (CID 53485922) is methyl 5-amino-6-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-iodopyridine-2-carboxylate is COC(=O)c1ccc(N)c(I)n1.
What is the InChIKey of methyl 5-amino-6-iodopyridine-2-carboxylate?
The InChIKey is XYAWLFXZOHDXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,9H2,1H3.
What are the key properties of methyl 5-amino-6-iodopyridine-2-carboxylate?
methyl 5-amino-6-iodopyridine-2-carboxylate has a molecular weight of 278.05 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-iodopyridine-2-carboxylate is sourced from PubChem (CID 53485922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).