7-bromo-2-oxo-1H-quinoline-3-carbaldehyde

C10H6BrNO2 — CID 22690268

IUPAC7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H6BrNO2/c11-8-2-1-6-3-7(5-13)10(14)12-9(6)4-8/h1-5H,(H,12,14)
InChIKeyGTAJNWCWIWIVPE-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.10
Rot. Bonds1

About 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde

7-bromo-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 22690268) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID22690268
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H6BrNO2/c11-8-2-1-6-3-7(5-13)10(14)12-9(6)4-8/h1-5H,(H,12,14)
InChIKeyGTAJNWCWIWIVPE-UHFFFAOYSA-N
XLogP2.10
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde (CID 22690268) is 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde is O=Cc1cc2ccc(Br)cc2[nH]c1=O.
What is the InChIKey of 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is GTAJNWCWIWIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-8-2-1-6-3-7(5-13)10(14)12-9(6)4-8/h1-5H,(H,12,14).
What are the key properties of 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde?
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 252.07 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 22690268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).