7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one

C8H6N2O4S — CID 54714003

IUPAC7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one
SMILESCn1c(=O)c([N+](=O)[O-])c(O)c2sccc21
InChIInChI=1S/C8H6N2O4S/c1-9-4-2-3-15-7(4)6(11)5(8(9)12)10(13)14/h2-3,11H,1H3
InChIKeyOVLDKZQYCKDJRN-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.21
Rot. Bonds1

About 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one

7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one (PubChem CID 54714003) has the molecular formula C8H6N2O4S and a molecular weight of 226.21 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one
PubChem CID54714003
Molecular FormulaC8H6N2O4S
Molecular Weight226.21 g/mol
Exact Mass226.00
IUPAC Name7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one
SMILESCn1c(=O)c([N+](=O)[O-])c(O)c2sccc21
InChIInChI=1S/C8H6N2O4S/c1-9-4-2-3-15-7(4)6(11)5(8(9)12)10(13)14/h2-3,11H,1H3
InChIKeyOVLDKZQYCKDJRN-UHFFFAOYSA-N
XLogP1.21
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.21
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-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one (CID 54714003) is 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one is Cn1c(=O)c([N+](=O)[O-])c(O)c2sccc21.
What is the InChIKey of 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one?
The InChIKey is OVLDKZQYCKDJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4S/c1-9-4-2-3-15-7(4)6(11)5(8(9)12)10(13)14/h2-3,11H,1H3.
What are the key properties of 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one?
7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one has a molecular weight of 226.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 54714003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).