3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol

C16H14N2O4S — CID 142311432

IUPAC3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol
SMILESCO.Nc1c(C(=O)c2ccccc2)sc2[nH]c(=O)c(C=O)cc12
InChIInChI=1S/C15H10N2O3S.CH4O/c16-11-10-6-9(7-18)14(20)17-15(10)21-13(11)12(19)8-4-2-1-3-5-8;1-2/h1-7H,16H2,(H,17,20);2H,1H3
InChIKeyDTSHUUWLLVCYFK-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol

3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol (PubChem CID 142311432) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol.

Molecular Properties

Compound Name3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol
PubChem CID142311432
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol
SMILESCO.Nc1c(C(=O)c2ccccc2)sc2[nH]c(=O)c(C=O)cc12
InChIInChI=1S/C15H10N2O3S.CH4O/c16-11-10-6-9(7-18)14(20)17-15(10)21-13(11)12(19)8-4-2-1-3-5-8;1-2/h1-7H,16H2,(H,17,20);2H,1H3
InChIKeyDTSHUUWLLVCYFK-UHFFFAOYSA-N
XLogP1.82
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol?
The IUPAC name of 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol (CID 142311432) is 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol.
What is the SMILES notation for 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol?
The canonical SMILES for 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol is CO.Nc1c(C(=O)c2ccccc2)sc2[nH]c(=O)c(C=O)cc12.
What is the InChIKey of 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol?
The InChIKey is DTSHUUWLLVCYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S.CH4O/c16-11-10-6-9(7-18)14(20)17-15(10)21-13(11)12(19)8-4-2-1-3-5-8;1-2/h1-7H,16H2,(H,17,20);2H,1H3.
What are the key properties of 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol?
3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol has a molecular weight of 330.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carbaldehyde;methanol is sourced from PubChem (CID 142311432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).