dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate

C18H15NO4S — CID 139216527

IUPACdimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1cc2c(-c3ccccc3)c(C(=O)OC)c(C)nc2s1
InChIInChI=1S/C18H15NO4S/c1-10-14(18(21)23-3)15(11-7-5-4-6-8-11)12-9-13(17(20)22-2)24-16(12)19-10/h4-9H,1-3H3
InChIKeyPEYAILIBKZLRJF-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.84
Rot. Bonds3

About dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate

dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate (PubChem CID 139216527) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
PubChem CID139216527
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Namedimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1cc2c(-c3ccccc3)c(C(=O)OC)c(C)nc2s1
InChIInChI=1S/C18H15NO4S/c1-10-14(18(21)23-3)15(11-7-5-4-6-8-11)12-9-13(17(20)22-2)24-16(12)19-10/h4-9H,1-3H3
InChIKeyPEYAILIBKZLRJF-UHFFFAOYSA-N
XLogP3.84
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
CID 54096227
methyl 6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 2323069
methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 151400269
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 71891224
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71762856
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 5-phenyl-1-benzothiophene-2-carboxylate
CID 19007392
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
methyl 6-(benzylamino)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71591602
methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 157283516

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate?
The IUPAC name of dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate (CID 139216527) is dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate is COC(=O)c1cc2c(-c3ccccc3)c(C(=O)OC)c(C)nc2s1.
What is the InChIKey of dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate?
The InChIKey is PEYAILIBKZLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-10-14(18(21)23-3)15(11-7-5-4-6-8-11)12-9-13(17(20)22-2)24-16(12)19-10/h4-9H,1-3H3.
What are the key properties of dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate?
dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate is sourced from PubChem (CID 139216527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).