methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate

C13H7ClF2INO2 — CID 142574412

IUPACmethyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(I)cc2F)c(F)cc1Cl
InChIInChI=1S/C13H7ClF2INO2/c1-20-13(19)12-8(14)5-10(16)11(18-12)7-3-2-6(17)4-9(7)15/h2-5H,1H3
InChIKeyGKCWXGGNXYVQTJ-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.07
Rot. Bonds2

About methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate

methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate (PubChem CID 142574412) has the molecular formula C13H7ClF2INO2 and a molecular weight of 409.56 g/mol. Its IUPAC name is methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
PubChem CID142574412
Molecular FormulaC13H7ClF2INO2
Molecular Weight409.56 g/mol
Exact Mass408.92
IUPAC Namemethyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(I)cc2F)c(F)cc1Cl
InChIInChI=1S/C13H7ClF2INO2/c1-20-13(19)12-8(14)5-10(16)11(18-12)7-3-2-6(17)4-9(7)15/h2-5H,1H3
InChIKeyGKCWXGGNXYVQTJ-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate (CID 142574412) is methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(I)cc2F)c(F)cc1Cl.
What is the InChIKey of methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
The InChIKey is GKCWXGGNXYVQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2INO2/c1-20-13(19)12-8(14)5-10(16)11(18-12)7-3-2-6(17)4-9(7)15/h2-5H,1H3.
What are the key properties of methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate?
methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate has a molecular weight of 409.56 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 142574412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).