methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate

C14H12FIN2O2 — CID 144501776

IUPACmethyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2)c(F)c(N)c1I
InChIInChI=1S/C14H12FIN2O2/c1-7-3-5-8(6-4-7)12-9(15)11(17)10(16)13(18-12)14(19)20-2/h3-6H,1-2H3,(H2,17,18)
InChIKeyIVKGXZYRHLBVBS-UHFFFAOYSA-N
MW386.16 g/mol
LogP3.17
Rot. Bonds2

About methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate

methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate (PubChem CID 144501776) has the molecular formula C14H12FIN2O2 and a molecular weight of 386.16 g/mol. Its IUPAC name is methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
PubChem CID144501776
Molecular FormulaC14H12FIN2O2
Molecular Weight386.16 g/mol
Exact Mass385.99
IUPAC Namemethyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2)c(F)c(N)c1I
InChIInChI=1S/C14H12FIN2O2/c1-7-3-5-8(6-4-7)12-9(15)11(17)10(16)13(18-12)14(19)20-2/h3-6H,1-2H3,(H2,17,18)
InChIKeyIVKGXZYRHLBVBS-UHFFFAOYSA-N
XLogP3.17
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 53.17
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-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 71175262
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70498124
benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
CID 123351569
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
2-amino-5-fluoro-3-methoxycarbonyl-6-(4-methylphenyl)pyridine-4-sulfonic acid
CID 175136305
methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate
CID 155209194
methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3,5-difluoropyridine-2-carboxylate
CID 22677492
methyl 4-amino-6-chloro-3-ethenyl-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-iodopyridine-2-carboxylate
CID 157301933

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate (CID 144501776) is methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C)cc2)c(F)c(N)c1I.
What is the InChIKey of methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate?
The InChIKey is IVKGXZYRHLBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2O2/c1-7-3-5-8(6-4-7)12-9(15)11(17)10(16)13(18-12)14(19)20-2/h3-6H,1-2H3,(H2,17,18).
What are the key properties of methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate?
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate has a molecular weight of 386.16 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 144501776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).