methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate

C11H9ClN2O2S — CID 22677392

IUPACmethyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)cc(N)c1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-16-11(15)10-9(12)6(13)5-7(14-10)8-3-2-4-17-8/h2-5H,1H3,(H2,13,14)
InChIKeyZKZQZEVWSYDGRD-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.83
Rot. Bonds2

About methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate

methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate (PubChem CID 22677392) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate
PubChem CID22677392
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Namemethyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)cc(N)c1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-16-11(15)10-9(12)6(13)5-7(14-10)8-3-2-4-17-8/h2-5H,1H3,(H2,13,14)
InChIKeyZKZQZEVWSYDGRD-UHFFFAOYSA-N
XLogP2.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate (CID 22677392) is methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate is COC(=O)c1nc(-c2cccs2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate?
The InChIKey is ZKZQZEVWSYDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-16-11(15)10-9(12)6(13)5-7(14-10)8-3-2-4-17-8/h2-5H,1H3,(H2,13,14).
What are the key properties of methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate has a molecular weight of 268.73 g/mol, XLogP of 2.83, 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-thiophen-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 22677392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).