methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate

C7H5Cl2IN2O2 — CID 90403719

IUPACmethyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(I)c(N)c1Cl
InChIInChI=1S/C7H5Cl2IN2O2/c1-14-7(13)5-2(8)4(11)3(10)6(9)12-5/h1H3,(H2,11,12)
InChIKeyHNVKGYSSRCIGCA-UHFFFAOYSA-N
MW346.94 g/mol
LogP2.36
Rot. Bonds1

About methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate

methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate (PubChem CID 90403719) has the molecular formula C7H5Cl2IN2O2 and a molecular weight of 346.94 g/mol. Its IUPAC name is methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
PubChem CID90403719
Molecular FormulaC7H5Cl2IN2O2
Molecular Weight346.94 g/mol
Exact Mass345.88
IUPAC Namemethyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(I)c(N)c1Cl
InChIInChI=1S/C7H5Cl2IN2O2/c1-14-7(13)5-2(8)4(11)3(10)6(9)12-5/h1H3,(H2,11,12)
InChIKeyHNVKGYSSRCIGCA-UHFFFAOYSA-N
XLogP2.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.94
LogP ≤ 52.36
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 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate (CID 90403719) is methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate is COC(=O)c1nc(Cl)c(I)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate?
The InChIKey is HNVKGYSSRCIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2IN2O2/c1-14-7(13)5-2(8)4(11)3(10)6(9)12-5/h1H3,(H2,11,12).
What are the key properties of methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate?
methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate has a molecular weight of 346.94 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate is sourced from PubChem (CID 90403719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).