7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one

C10H10N2O4S — CID 54705229

IUPAC7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one
SMILESCC(C)n1c(=O)c([N+](=O)[O-])c(O)c2sccc21
InChIInChI=1S/C10H10N2O4S/c1-5(2)11-6-3-4-17-9(6)8(13)7(10(11)14)12(15)16/h3-5,13H,1-2H3
InChIKeyWOQAQGYYDUFXNM-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.26
Rot. Bonds2

About 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one

7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one (PubChem CID 54705229) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one
PubChem CID54705229
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one
SMILESCC(C)n1c(=O)c([N+](=O)[O-])c(O)c2sccc21
InChIInChI=1S/C10H10N2O4S/c1-5(2)11-6-3-4-17-9(6)8(13)7(10(11)14)12(15)16/h3-5,13H,1-2H3
InChIKeyWOQAQGYYDUFXNM-UHFFFAOYSA-N
XLogP2.26
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one (CID 54705229) is 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one is CC(C)n1c(=O)c([N+](=O)[O-])c(O)c2sccc21.
What is the InChIKey of 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one?
The InChIKey is WOQAQGYYDUFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-5(2)11-6-3-4-17-9(6)8(13)7(10(11)14)12(15)16/h3-5,13H,1-2H3.
What are the key properties of 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one?
7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one has a molecular weight of 254.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 54705229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).