methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate

C11H8Cl2N2O2S — CID 22677346

IUPACmethyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c1-17-11(16)10-7(13)8(14)6(12)9(15-10)5-3-2-4-18-5/h2-4H,1H3,(H2,14,15)
InChIKeyOYBDOUBHFVIKPC-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.49
Rot. Bonds2

About methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate

methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate (PubChem CID 22677346) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate
PubChem CID22677346
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Namemethyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c1-17-11(16)10-7(13)8(14)6(12)9(15-10)5-3-2-4-18-5/h2-4H,1H3,(H2,14,15)
InChIKeyOYBDOUBHFVIKPC-UHFFFAOYSA-N
XLogP3.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate (CID 22677346) is methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate is COC(=O)c1nc(-c2cccs2)c(Cl)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate?
The InChIKey is OYBDOUBHFVIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-17-11(16)10-7(13)8(14)6(12)9(15-10)5-3-2-4-18-5/h2-4H,1H3,(H2,14,15).
What are the key properties of methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate?
methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate has a molecular weight of 303.17 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 22677346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).