methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate

C14H11Cl2FN2O2S — CID 90441351

IUPACmethyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(F)c2SC)cc(N)c1Cl
InChIInChI=1S/C14H11Cl2FN2O2S/c1-21-14(20)12-10(16)8(18)5-9(19-12)6-3-4-7(15)11(17)13(6)22-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyAGTMFPBLMSTDGZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.29
Rot. Bonds3

About methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate (PubChem CID 90441351) has the molecular formula C14H11Cl2FN2O2S and a molecular weight of 361.23 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate
PubChem CID90441351
Molecular FormulaC14H11Cl2FN2O2S
Molecular Weight361.23 g/mol
Exact Mass359.99
IUPAC Namemethyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(F)c2SC)cc(N)c1Cl
InChIInChI=1S/C14H11Cl2FN2O2S/c1-21-14(20)12-10(16)8(18)5-9(19-12)6-3-4-7(15)11(17)13(6)22-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyAGTMFPBLMSTDGZ-UHFFFAOYSA-N
XLogP4.29
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.29
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-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate (CID 90441351) is methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(F)c2SC)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate?
The InChIKey is AGTMFPBLMSTDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O2S/c1-21-14(20)12-10(16)8(18)5-9(19-12)6-3-4-7(15)11(17)13(6)22-2/h3-5H,1-2H3,(H2,18,19).
What are the key properties of methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate has a molecular weight of 361.23 g/mol, XLogP of 4.29, 3 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-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 90441351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).