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

C11H10N2O2S — CID 167489425

IUPACmethyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)ccc1N
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)10-7(12)4-5-8(13-10)9-3-2-6-16-9/h2-6H,12H2,1H3
InChIKeyVBQBYGBYUNVBGR-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.18
Rot. Bonds2

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

methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate (PubChem CID 167489425) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
PubChem CID167489425
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)ccc1N
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)10-7(12)4-5-8(13-10)9-3-2-6-16-9/h2-6H,12H2,1H3
InChIKeyVBQBYGBYUNVBGR-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate
CID 135067685
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
3-amino-N-methyl-6-thiophen-2-ylpyrazine-2-carboxamide
CID 68650476
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate
CID 103544931
methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
CID 70098483
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140
methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate
CID 82028184
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate (CID 167489425) is methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate is COC(=O)c1nc(-c2cccs2)ccc1N.
What is the InChIKey of methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate?
The InChIKey is VBQBYGBYUNVBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-11(14)10-7(12)4-5-8(13-10)9-3-2-6-16-9/h2-6H,12H2,1H3.
What are the key properties of methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate?
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 167489425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).