methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate

C12H9Cl2FN2O2S — CID 68809559

IUPACmethyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2sc(F)c(C)c2Cl)cc(N)c1Cl
InChIInChI=1S/C12H9Cl2FN2O2S/c1-4-7(13)10(20-11(4)15)6-3-5(16)8(14)9(17-6)12(18)19-2/h3H,1-2H3,(H2,16,17)
InChIKeyPDLDIFDQKUFDBH-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.93
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate (PubChem CID 68809559) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate
PubChem CID68809559
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Namemethyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2sc(F)c(C)c2Cl)cc(N)c1Cl
InChIInChI=1S/C12H9Cl2FN2O2S/c1-4-7(13)10(20-11(4)15)6-3-5(16)8(14)9(17-6)12(18)19-2/h3H,1-2H3,(H2,16,17)
InChIKeyPDLDIFDQKUFDBH-UHFFFAOYSA-N
XLogP3.93
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate (CID 68809559) is methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2sc(F)c(C)c2Cl)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate?
The InChIKey is PDLDIFDQKUFDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c1-4-7(13)10(20-11(4)15)6-3-5(16)8(14)9(17-6)12(18)19-2/h3H,1-2H3,(H2,16,17).
What are the key properties of methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate has a molecular weight of 335.19 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 68809559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).