methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine

C14H13N3O2S — CID 160853346

IUPACmethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
SMILESCOC(=O)c1sc2ncccc2c1N.c1ccncc1
InChIInChI=1S/C9H8N2O2S.C5H5N/c1-13-9(12)7-6(10)5-3-2-4-11-8(5)14-7;1-2-4-6-5-3-1/h2-4H,10H2,1H3;1-5H
InChIKeySJNYBUFOJMUNND-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.75
Rot. Bonds1

About methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine

methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine (PubChem CID 160853346) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine.

Molecular Properties

Compound Namemethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
PubChem CID160853346
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Namemethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
SMILESCOC(=O)c1sc2ncccc2c1N.c1ccncc1
InChIInChI=1S/C9H8N2O2S.C5H5N/c1-13-9(12)7-6(10)5-3-2-4-11-8(5)14-7;1-2-4-6-5-3-1/h2-4H,10H2,1H3;1-5H
InChIKeySJNYBUFOJMUNND-UHFFFAOYSA-N
XLogP2.75
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 156621154
methyl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
CID 69220215
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 41089982
methyl 3-amino-5-methyl-4-pyridin-3-ylthiophene-2-carboxylate
CID 83971401
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
CID 16763566
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 114469848

Frequently Asked Questions

What is the IUPAC name of methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine?
The IUPAC name of methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine (CID 160853346) is methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine.
What is the SMILES notation for methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine?
The canonical SMILES for methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine is COC(=O)c1sc2ncccc2c1N.c1ccncc1.
What is the InChIKey of methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine?
The InChIKey is SJNYBUFOJMUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S.C5H5N/c1-13-9(12)7-6(10)5-3-2-4-11-8(5)14-7;1-2-4-6-5-3-1/h2-4H,10H2,1H3;1-5H.
What are the key properties of methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine?
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine has a molecular weight of 287.34 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine is sourced from PubChem (CID 160853346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).