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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Related Compounds

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-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
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-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
CID 68599293
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151
methyl 4-acetamido-3-chloro-6-(4-chloro-3-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 90415466
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355
methyl 4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68596863
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-fluoroprop-2-enoxy)ethanone
CID 158247389
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 54576070

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).