2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine

C9H9NO2S — CID 23401181

IUPAC2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine
SMILESCc1ccnc2cc(COO)sc12
InChIInChI=1S/C9H9NO2S/c1-6-2-3-10-8-4-7(5-12-11)13-9(6)8/h2-4,11H,5H2,1H3
InChIKeyKPIQOKLQXJKKFM-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.59
Rot. Bonds2

About 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine

2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine (PubChem CID 23401181) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine
PubChem CID23401181
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine
SMILESCc1ccnc2cc(COO)sc12
InChIInChI=1S/C9H9NO2S/c1-6-2-3-10-8-4-7(5-12-11)13-9(6)8/h2-4,11H,5H2,1H3
InChIKeyKPIQOKLQXJKKFM-UHFFFAOYSA-N
XLogP2.59
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethylthieno[3,2-b]pyridine;ethane
CID 143768578
3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one
CID 170041666
[7-[2-(azetidin-2-ylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609798
[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609796
1-(7-chlorothieno[3,2-b]pyridin-2-yl)propan-2-ol
CID 162469989
cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 155570685
propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 155457985
2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 175191731
1-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,N-dimethylmethanamine
CID 69369351
7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine
CID 22143516
[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138610055
3-methylbutyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 155458075

Frequently Asked Questions

What is the IUPAC name of 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine?
The IUPAC name of 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine (CID 23401181) is 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine.
What is the SMILES notation for 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine?
The canonical SMILES for 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine is Cc1ccnc2cc(COO)sc12.
What is the InChIKey of 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine?
The InChIKey is KPIQOKLQXJKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-6-2-3-10-8-4-7(5-12-11)13-9(6)8/h2-4,11H,5H2,1H3.
What are the key properties of 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine?
2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine has a molecular weight of 195.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 23401181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).