methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

C16H12ClNO3S — CID 1475831

IUPACmethyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H12ClNO3S/c1-20-16(19)14-13(12-6-3-7-18-15(12)22-14)21-9-10-4-2-5-11(17)8-10/h2-8H,9H2,1H3
InChIKeyJBBPJDZLPQVJGF-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.32
Rot. Bonds4

About methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1475831) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1475831
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Namemethyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H12ClNO3S/c1-20-16(19)14-13(12-6-3-7-18-15(12)22-14)21-9-10-4-2-5-11(17)8-10/h2-8H,9H2,1H3
InChIKeyJBBPJDZLPQVJGF-UHFFFAOYSA-N
XLogP4.32
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 5327045
Methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate
CID 1478603
Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate
CID 2727696
Methyl 3-[(2,4-dichlorobenzyl)oxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475828
Methyl 3-[(2,6-dichlorobenzyl)oxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475833
Methyl 3-(2-ethoxy-1-methyl-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate
CID 3785155
Methyl 3-[(2-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475830
Methyl 3-[(4-chlorobenzyl)oxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475832
3-(Benzyloxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 1478615
(4-Fluorophenyl) 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 118708383
(2-Methoxycarbonyl-1-benzothiophen-3-yl) 2-phenoxypyridine-3-carboxylate
CID 2799007
Methyl 3-{[3-(trifluoromethyl)benzyl]oxy}thieno[2,3-b]pyridine-2-carboxylate
CID 1475827

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate (CID 1475831) is methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncccc2c1OCc1cccc(Cl)c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is JBBPJDZLPQVJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c1-20-16(19)14-13(12-6-3-7-18-15(12)22-14)21-9-10-4-2-5-11(17)8-10/h2-8H,9H2,1H3.
What are the key properties of methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 333.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1475831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).