methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate

C15H11Cl2FN2O2 — CID 90415314

IUPACmethyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
SMILESC=Cc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F
InChIInChI=1S/C15H11Cl2FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2/h3-6H,1H2,2H3,(H2,19,20)
InChIKeyDUTMLZGBEXTSDL-UHFFFAOYSA-N
MW341.17 g/mol
LogP4.21
Rot. Bonds3

About methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate (PubChem CID 90415314) has the molecular formula C15H11Cl2FN2O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
PubChem CID90415314
Molecular FormulaC15H11Cl2FN2O2
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC Namemethyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
SMILESC=Cc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F
InChIInChI=1S/C15H11Cl2FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2/h3-6H,1H2,2H3,(H2,19,20)
InChIKeyDUTMLZGBEXTSDL-UHFFFAOYSA-N
XLogP4.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate (CID 90415314) is methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate is C=Cc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.
What is the InChIKey of methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate?
The InChIKey is DUTMLZGBEXTSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2/h3-6H,1H2,2H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate has a molecular weight of 341.17 g/mol, XLogP of 4.21, 3 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-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 90415314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).