4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol

C14H15NO2S — CID 10061214

IUPAC4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol
SMILESCN1Cc2sccc2C(c2ccc(O)c(O)c2)C1
InChIInChI=1S/C14H15NO2S/c1-15-7-11(10-4-5-18-14(10)8-15)9-2-3-12(16)13(17)6-9/h2-6,11,16-17H,7-8H2,1H3
InChIKeySYHALWYYSDMSLE-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.74
Rot. Bonds1

About 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol

4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol (PubChem CID 10061214) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol
PubChem CID10061214
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol
SMILESCN1Cc2sccc2C(c2ccc(O)c(O)c2)C1
InChIInChI=1S/C14H15NO2S/c1-15-7-11(10-4-5-18-14(10)8-15)9-2-3-12(16)13(17)6-9/h2-6,11,16-17H,7-8H2,1H3
InChIKeySYHALWYYSDMSLE-UHFFFAOYSA-N
XLogP2.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol (CID 10061214) is 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol is CN1Cc2sccc2C(c2ccc(O)c(O)c2)C1.
What is the InChIKey of 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol?
The InChIKey is SYHALWYYSDMSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15-7-11(10-4-5-18-14(10)8-15)9-2-3-12(16)13(17)6-9/h2-6,11,16-17H,7-8H2,1H3.
What are the key properties of 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol?
4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol has a molecular weight of 261.35 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol is sourced from PubChem (CID 10061214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).