methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate

C13H11IN2O3 — CID 114195654

IUPACmethyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1Oc1cccc(I)c1
InChIInChI=1S/C13H11IN2O3/c1-18-13(17)10-6-12(15)16-7-11(10)19-9-4-2-3-8(14)5-9/h2-7H,1H3,(H2,15,16)
InChIKeyGEPWECTZBMHDPL-UHFFFAOYSA-N
MW370.15 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate

methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate (PubChem CID 114195654) has the molecular formula C13H11IN2O3 and a molecular weight of 370.15 g/mol. Its IUPAC name is methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate
PubChem CID114195654
Molecular FormulaC13H11IN2O3
Molecular Weight370.15 g/mol
Exact Mass369.98
IUPAC Namemethyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1Oc1cccc(I)c1
InChIInChI=1S/C13H11IN2O3/c1-18-13(17)10-6-12(15)16-7-11(10)19-9-4-2-3-8(14)5-9/h2-7H,1H3,(H2,15,16)
InChIKeyGEPWECTZBMHDPL-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 5-amino-2-(3-iodophenoxy)pyridine-3-carboxylate
CID 114047612
methyl 2-amino-5-[(2-methyl-3-pyridinyl)oxy]pyridine-4-carboxylate
CID 114195699
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
4-amino-3-(3-iodophenoxy)benzoic acid
CID 82796588
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
methyl 5-amino-2-phenoxybenzoate
CID 23019285
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
2-amino-5-(3,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 114195658
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate
CID 114194731

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate (CID 114195654) is methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1Oc1cccc(I)c1.
What is the InChIKey of methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate?
The InChIKey is GEPWECTZBMHDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O3/c1-18-13(17)10-6-12(15)16-7-11(10)19-9-4-2-3-8(14)5-9/h2-7H,1H3,(H2,15,16).
What are the key properties of methyl 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate?
methyl 2-amino-5-(3-iodophenoxy)pyridine-4-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 2-amino-5-(3-iodophenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 114195654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).