methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate

C9H11FN2O2S — CID 144501762

IUPACmethyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(F)c(N)c1SC
InChIInChI=1S/C9H11FN2O2S/c1-4-5(10)6(11)8(15-3)7(12-4)9(13)14-2/h1-3H3,(H2,11,12)
InChIKeyNGURURSOZWISBA-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.62
Rot. Bonds2

About methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate

methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate (PubChem CID 144501762) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate
PubChem CID144501762
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Namemethyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(F)c(N)c1SC
InChIInChI=1S/C9H11FN2O2S/c1-4-5(10)6(11)8(15-3)7(12-4)9(13)14-2/h1-3H3,(H2,11,12)
InChIKeyNGURURSOZWISBA-UHFFFAOYSA-N
XLogP1.62
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252
methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
CID 129415851
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
dimethyl 4-amino-3,5,6-trifluorobenzene-1,2-dicarboxylate
CID 12045796
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 4-fluoro-1,3-dimethylisoquinoline-7-carboxylate
CID 67961184
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate (CID 144501762) is methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate is COC(=O)c1nc(C)c(F)c(N)c1SC.
What is the InChIKey of methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate?
The InChIKey is NGURURSOZWISBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-4-5(10)6(11)8(15-3)7(12-4)9(13)14-2/h1-3H3,(H2,11,12).
What are the key properties of methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate?
methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate is sourced from PubChem (CID 144501762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).