methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate

C8H10N2O2S — CID 23204634

IUPACmethyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(SC)c(N)c1
InChIInChI=1S/C8H10N2O2S/c1-12-8(11)5-3-6(9)7(13-2)10-4-5/h3-4H,9H2,1-2H3
InChIKeyCFQKPRDVGJPYBI-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.17
Rot. Bonds2

About methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate

methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate (PubChem CID 23204634) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
PubChem CID23204634
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(SC)c(N)c1
InChIInChI=1S/C8H10N2O2S/c1-12-8(11)5-3-6(9)7(13-2)10-4-5/h3-4H,9H2,1-2H3
InChIKeyCFQKPRDVGJPYBI-UHFFFAOYSA-N
XLogP1.17
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
CID 130094865
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate
CID 167003451
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
CID 169224427
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385
ethyl 5-cyano-6-methylsulfanylpyridine-3-carboxylate
CID 54004334
methyl 3-amino-5-methoxy-4-(methylamino)benzoate
CID 129205768
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate (CID 23204634) is methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate is COC(=O)c1cnc(SC)c(N)c1.
What is the InChIKey of methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate?
The InChIKey is CFQKPRDVGJPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-8(11)5-3-6(9)7(13-2)10-4-5/h3-4H,9H2,1-2H3.
What are the key properties of methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate?
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate has a molecular weight of 198.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 23204634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).