methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate

C13H11IN2O3 — CID 114047612

IUPACmethyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1Oc1cccc(I)c1
InChIInChI=1S/C13H11IN2O3/c1-18-13(17)11-6-9(15)7-16-12(11)19-10-4-2-3-8(14)5-10/h2-7H,15H2,1H3
InChIKeyWQDJDDUFNBPXTD-UHFFFAOYSA-N
MW370.15 g/mol
LogP2.85
Rot. Bonds3

About methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate

methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate (PubChem CID 114047612) has the molecular formula C13H11IN2O3 and a molecular weight of 370.15 g/mol. Its IUPAC name is methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate
PubChem CID114047612
Molecular FormulaC13H11IN2O3
Molecular Weight370.15 g/mol
Exact Mass369.98
IUPAC Namemethyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1Oc1cccc(I)c1
InChIInChI=1S/C13H11IN2O3/c1-18-13(17)11-6-9(15)7-16-12(11)19-10-4-2-3-8(14)5-10/h2-7H,15H2,1H3
InChIKeyWQDJDDUFNBPXTD-UHFFFAOYSA-N
XLogP2.85
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate
CID 114195654
5-fluoro-2-(3-iodophenoxy)pyridine-3-carboxamide
CID 141340163
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
5-amino-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 61358803
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
CID 43144816
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114047540
5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
CID 114047617
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
methyl 5-amino-2-phenoxybenzoate
CID 23019285

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate (CID 114047612) is methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1Oc1cccc(I)c1.
What is the InChIKey of methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate?
The InChIKey is WQDJDDUFNBPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O3/c1-18-13(17)11-6-9(15)7-16-12(11)19-10-4-2-3-8(14)5-10/h2-7H,15H2,1H3.
What are the key properties of methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate?
methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate has a molecular weight of 370.15 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 114047612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).