9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid

C16H10BrNO2S — CID 63463135

IUPAC9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
SMILESO=C(O)c1c2c(nc3cc(Br)ccc13)-c1ccsc1CC2
InChIInChI=1S/C16H10BrNO2S/c17-8-1-2-9-12(7-8)18-15-10-5-6-21-13(10)4-3-11(15)14(9)16(19)20/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyYNUWMAKQYUCGSW-UHFFFAOYSA-N
MW360.23 g/mol
LogP4.52
Rot. Bonds1

About 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid

9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid (PubChem CID 63463135) has the molecular formula C16H10BrNO2S and a molecular weight of 360.23 g/mol. Its IUPAC name is 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid.

Molecular Properties

Compound Name9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
PubChem CID63463135
Molecular FormulaC16H10BrNO2S
Molecular Weight360.23 g/mol
Exact Mass358.96
IUPAC Name9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
SMILESO=C(O)c1c2c(nc3cc(Br)ccc13)-c1ccsc1CC2
InChIInChI=1S/C16H10BrNO2S/c17-8-1-2-9-12(7-8)18-15-10-5-6-21-13(10)4-3-11(15)14(9)16(19)20/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyYNUWMAKQYUCGSW-UHFFFAOYSA-N
XLogP4.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
The IUPAC name of 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid (CID 63463135) is 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid.
What is the SMILES notation for 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
The canonical SMILES for 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid is O=C(O)c1c2c(nc3cc(Br)ccc13)-c1ccsc1CC2.
What is the InChIKey of 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
The InChIKey is YNUWMAKQYUCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2S/c17-8-1-2-9-12(7-8)18-15-10-5-6-21-13(10)4-3-11(15)14(9)16(19)20/h1-2,5-7H,3-4H2,(H,19,20).
What are the key properties of 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid has a molecular weight of 360.23 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid is sourced from PubChem (CID 63463135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).