butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate

C14H17NO3S — CID 67234395

IUPACbutyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)c1nc(C)c2sc(C)cc2c1O
InChIInChI=1S/C14H17NO3S/c1-4-5-6-18-14(17)11-12(16)10-7-8(2)19-13(10)9(3)15-11/h7,16H,4-6H2,1-3H3
InChIKeyUYQMVZGLYRZNMT-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.58
Rot. Bonds4

About butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate

butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate (PubChem CID 67234395) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebutyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate
PubChem CID67234395
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Namebutyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)c1nc(C)c2sc(C)cc2c1O
InChIInChI=1S/C14H17NO3S/c1-4-5-6-18-14(17)11-12(16)10-7-8(2)19-13(10)9(3)15-11/h7,16H,4-6H2,1-3H3
InChIKeyUYQMVZGLYRZNMT-UHFFFAOYSA-N
XLogP3.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-hydroxy-7-methylthieno[2,3-c]pyridine-5-carboxylate
CID 67233759
butyl 1-bromo-7-butoxy-4-hydroxyisoquinoline-3-carboxylate
CID 86014546
butyl 4-chloro-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
CID 87318571
butyl 7-bromo-1-chloro-4-hydroxyisoquinoline-3-carboxylate
CID 86014573
butyl 1-bromo-7-chloro-4-hydroxyisoquinoline-3-carboxylate
CID 86014560
butyl 1-chloro-4-hydroxy-7-propoxyisoquinoline-3-carboxylate
CID 174422912
butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate
CID 67233627
butyl 2,6-dimethylpyridine-4-carboxylate
CID 66665942
butyl 1-chloro-4-hydroxy-6-phenoxyisoquinoline-3-carboxylate
CID 86595469
butyl 5-methyl-1H-imidazole-4-carboxylate
CID 21401480
ethyl 4,7-dihydroxy-1-methylisoquinoline-3-carboxylate
CID 142601053
butyl 1-chloro-6-(4-fluorophenoxy)-4-hydroxyisoquinoline-3-carboxylate
CID 87120268

Frequently Asked Questions

What is the IUPAC name of butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate?
The IUPAC name of butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate (CID 67234395) is butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate is CCCCOC(=O)c1nc(C)c2sc(C)cc2c1O.
What is the InChIKey of butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate?
The InChIKey is UYQMVZGLYRZNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-5-6-18-14(17)11-12(16)10-7-8(2)19-13(10)9(3)15-11/h7,16H,4-6H2,1-3H3.
What are the key properties of butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate?
butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 67234395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).