methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate

C13H11FIN3O2 — CID 114407006

IUPACmethyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C13H11FIN3O2/c1-20-13(19)11-5-3-9(16)12(18-11)17-10-4-2-7(14)6-8(10)15/h2-6H,16H2,1H3,(H,17,18)
InChIKeySRIGXMPKJAUMQY-UHFFFAOYSA-N
MW387.15 g/mol
LogP2.94
Rot. Bonds3

About methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate

methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate (PubChem CID 114407006) has the molecular formula C13H11FIN3O2 and a molecular weight of 387.15 g/mol. Its IUPAC name is methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
PubChem CID114407006
Molecular FormulaC13H11FIN3O2
Molecular Weight387.15 g/mol
Exact Mass386.99
IUPAC Namemethyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C13H11FIN3O2/c1-20-13(19)11-5-3-9(16)12(18-11)17-10-4-2-7(14)6-8(10)15/h2-6H,16H2,1H3,(H,17,18)
InChIKeySRIGXMPKJAUMQY-UHFFFAOYSA-N
XLogP2.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
CID 107793040
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107637898
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate (CID 114407006) is methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2ccc(F)cc2I)n1.
What is the InChIKey of methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate?
The InChIKey is SRIGXMPKJAUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN3O2/c1-20-13(19)11-5-3-9(16)12(18-11)17-10-4-2-7(14)6-8(10)15/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate has a molecular weight of 387.15 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114407006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).