methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate

C10H9NO2S — CID 130905624

IUPACmethyl 3-methylthieno[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2c(C)csc12
InChIInChI=1S/C10H9NO2S/c1-6-5-14-9-7(10(12)13-2)3-4-11-8(6)9/h3-5H,1-2H3
InChIKeyDYJPPNSODXJBDU-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.39
Rot. Bonds1

About methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate

methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate (PubChem CID 130905624) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylthieno[3,2-b]pyridine-7-carboxylate
PubChem CID130905624
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Namemethyl 3-methylthieno[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2c(C)csc12
InChIInChI=1S/C10H9NO2S/c1-6-5-14-9-7(10(12)13-2)3-4-11-8(6)9/h3-5H,1-2H3
InChIKeyDYJPPNSODXJBDU-UHFFFAOYSA-N
XLogP2.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-methylthieno[3,2-c]pyridine-7-carboxylate
CID 135393998
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
3-methylthieno[3,2-b]pyridine-7-carbonitrile
CID 135392199
methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
CID 162342553
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 7-bromo-4-methyl-1-benzothiophene-3-carboxylate
CID 155463767
methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
CID 131602198
methyl 5,6,8-trichloroquinoline-4-carboxylate
CID 102941704
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 2-cyano-3-methylpyridine-4-carboxylate
CID 59565228

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate?
The IUPAC name of methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate (CID 130905624) is methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate is COC(=O)c1ccnc2c(C)csc12.
What is the InChIKey of methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate?
The InChIKey is DYJPPNSODXJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-5-14-9-7(10(12)13-2)3-4-11-8(6)9/h3-5H,1-2H3.
What are the key properties of methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate?
methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate has a molecular weight of 207.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 130905624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).