methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate

C14H13FN2O2S — CID 68941385

IUPACmethyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(Sc2ccc(C)cc2)nc1N
InChIInChI=1S/C14H13FN2O2S/c1-8-3-5-9(6-4-8)20-13-11(15)7-10(12(16)17-13)14(18)19-2/h3-7H,1-2H3,(H2,16,17)
InChIKeyGNESEGGVOYDDLQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.05
Rot. Bonds3

About methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate

methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate (PubChem CID 68941385) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate
PubChem CID68941385
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(Sc2ccc(C)cc2)nc1N
InChIInChI=1S/C14H13FN2O2S/c1-8-3-5-9(6-4-8)20-13-11(15)7-10(12(16)17-13)14(18)19-2/h3-7H,1-2H3,(H2,16,17)
InChIKeyGNESEGGVOYDDLQ-UHFFFAOYSA-N
XLogP3.05
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236
methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-4-yl]sulfanylbenzoate
CID 3844370
methyl 2-amino-8-methylquinoline-3-carboxylate
CID 135393173
methyl 2-[4-methoxy-6-(4-methylphenyl)sulfanyl-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate
CID 162358709
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
CID 105382754
methyl 2-(2-amino-4-methylphenyl)sulfanyl-4-methylbenzoate
CID 159129847
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 2-amino-5-methylsulfanylbenzoate
CID 12719204
methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 59585041
methyl 3-(4-methylphenyl)sulfanylbenzoate
CID 154293212
methyl 5-cyano-6-(4-methoxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate
CID 1471657

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate (CID 68941385) is methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate is COC(=O)c1cc(F)c(Sc2ccc(C)cc2)nc1N.
What is the InChIKey of methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate?
The InChIKey is GNESEGGVOYDDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-8-3-5-9(6-4-8)20-13-11(15)7-10(12(16)17-13)14(18)19-2/h3-7H,1-2H3,(H2,16,17).
What are the key properties of methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate?
methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 68941385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).