methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate

C14H11NO3S — CID 10612292

IUPACmethyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2sc3ccccc3c2n1
InChIInChI=1S/C14H11NO3S/c1-17-10-7-9(14(16)18-2)15-12-8-5-3-4-6-11(8)19-13(10)12/h3-7H,1-2H3
InChIKeyWVEAXXAEFOCRJH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.24
Rot. Bonds2

About methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate

methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate (PubChem CID 10612292) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
PubChem CID10612292
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Namemethyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2sc3ccccc3c2n1
InChIInChI=1S/C14H11NO3S/c1-17-10-7-9(14(16)18-2)15-12-8-5-3-4-6-11(8)19-13(10)12/h3-7H,1-2H3
InChIKeyWVEAXXAEFOCRJH-UHFFFAOYSA-N
XLogP3.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 2-[(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)amino]acetate
CID 95929140
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
CID 53113340

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate (CID 10612292) is methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate is COC(=O)c1cc(OC)c2sc3ccccc3c2n1.
What is the InChIKey of methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is WVEAXXAEFOCRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-17-10-7-9(14(16)18-2)15-12-8-5-3-4-6-11(8)19-13(10)12/h3-7H,1-2H3.
What are the key properties of methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate?
methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 10612292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).