7-bromo-9-oxo-10H-acridine-4-carboxylic acid

C14H8BrNO3 — CID 627079

IUPAC7-bromo-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cc(Br)ccc3[nH]c12
InChIInChI=1S/C14H8BrNO3/c15-7-4-5-11-10(6-7)13(17)8-2-1-3-9(14(18)19)12(8)16-11/h1-6H,(H,16,17)(H,18,19)
InChIKeyAQGVVVLQMQPHNX-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.14
Rot. Bonds1

About 7-bromo-9-oxo-10H-acridine-4-carboxylic acid

7-bromo-9-oxo-10H-acridine-4-carboxylic acid (PubChem CID 627079) has the molecular formula C14H8BrNO3 and a molecular weight of 318.13 g/mol. Its IUPAC name is 7-bromo-9-oxo-10H-acridine-4-carboxylic acid.

Molecular Properties

Compound Name7-bromo-9-oxo-10H-acridine-4-carboxylic acid
PubChem CID627079
Molecular FormulaC14H8BrNO3
Molecular Weight318.13 g/mol
Exact Mass316.97
IUPAC Name7-bromo-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cc(Br)ccc3[nH]c12
InChIInChI=1S/C14H8BrNO3/c15-7-4-5-11-10(6-7)13(17)8-2-1-3-9(14(18)19)12(8)16-11/h1-6H,(H,16,17)(H,18,19)
InChIKeyAQGVVVLQMQPHNX-UHFFFAOYSA-N
XLogP3.14
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-oxo-10H-acridine-4-carboxylic acid?
The IUPAC name of 7-bromo-9-oxo-10H-acridine-4-carboxylic acid (CID 627079) is 7-bromo-9-oxo-10H-acridine-4-carboxylic acid.
What is the SMILES notation for 7-bromo-9-oxo-10H-acridine-4-carboxylic acid?
The canonical SMILES for 7-bromo-9-oxo-10H-acridine-4-carboxylic acid is O=C(O)c1cccc2c(=O)c3cc(Br)ccc3[nH]c12.
What is the InChIKey of 7-bromo-9-oxo-10H-acridine-4-carboxylic acid?
The InChIKey is AQGVVVLQMQPHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO3/c15-7-4-5-11-10(6-7)13(17)8-2-1-3-9(14(18)19)12(8)16-11/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 7-bromo-9-oxo-10H-acridine-4-carboxylic acid?
7-bromo-9-oxo-10H-acridine-4-carboxylic acid has a molecular weight of 318.13 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-oxo-10H-acridine-4-carboxylic acid is sourced from PubChem (CID 627079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).