methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate

C11H11IN2O3 — CID 130429798

IUPACmethyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate
SMILESCOC(=O)c1cc(I)cc(NC(=O)C2CC2)n1
InChIInChI=1S/C11H11IN2O3/c1-17-11(16)8-4-7(12)5-9(13-8)14-10(15)6-2-3-6/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyLICGIJJXJYPNSD-UHFFFAOYSA-N
MW346.12 g/mol
LogP1.82
Rot. Bonds3

About methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate

methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate (PubChem CID 130429798) has the molecular formula C11H11IN2O3 and a molecular weight of 346.12 g/mol. Its IUPAC name is methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate
PubChem CID130429798
Molecular FormulaC11H11IN2O3
Molecular Weight346.12 g/mol
Exact Mass345.98
IUPAC Namemethyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate
SMILESCOC(=O)c1cc(I)cc(NC(=O)C2CC2)n1
InChIInChI=1S/C11H11IN2O3/c1-17-11(16)8-4-7(12)5-9(13-8)14-10(15)6-2-3-6/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyLICGIJJXJYPNSD-UHFFFAOYSA-N
XLogP1.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate?
The IUPAC name of methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate (CID 130429798) is methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate is COC(=O)c1cc(I)cc(NC(=O)C2CC2)n1.
What is the InChIKey of methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate?
The InChIKey is LICGIJJXJYPNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O3/c1-17-11(16)8-4-7(12)5-9(13-8)14-10(15)6-2-3-6/h4-6H,2-3H2,1H3,(H,13,14,15).
What are the key properties of methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate?
methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate has a molecular weight of 346.12 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropanecarbonylamino)-4-iodopyridine-2-carboxylate is sourced from PubChem (CID 130429798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).