methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate

C13H9ClFIN2O2 — CID 90440355

IUPACmethyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(I)cc2F)cc(N)c1Cl
InChIInChI=1S/C13H9ClFIN2O2/c1-20-13(19)12-11(14)9(17)5-10(18-12)7-3-2-6(16)4-8(7)15/h2-5H,1H3,(H2,17,18)
InChIKeyLWWBSCALIOOUKJ-UHFFFAOYSA-N
MW406.58 g/mol
LogP3.51
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate (PubChem CID 90440355) has the molecular formula C13H9ClFIN2O2 and a molecular weight of 406.58 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
PubChem CID90440355
Molecular FormulaC13H9ClFIN2O2
Molecular Weight406.58 g/mol
Exact Mass405.94
IUPAC Namemethyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(I)cc2F)cc(N)c1Cl
InChIInChI=1S/C13H9ClFIN2O2/c1-20-13(19)12-11(14)9(17)5-10(18-12)7-3-2-6(16)4-8(7)15/h2-5H,1H3,(H2,17,18)
InChIKeyLWWBSCALIOOUKJ-UHFFFAOYSA-N
XLogP3.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
CID 140623371
methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
CID 71150711
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
CID 68600303
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 142574412
methyl 4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68596863
methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate
CID 67974580

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate (CID 90440355) is methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(I)cc2F)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
The InChIKey is LWWBSCALIOOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIN2O2/c1-20-13(19)12-11(14)9(17)5-10(18-12)7-3-2-6(16)4-8(7)15/h2-5H,1H3,(H2,17,18).
What are the key properties of methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate has a molecular weight of 406.58 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 90440355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).