8-bromo-6-methylquinoline-3-carbaldehyde

C11H8BrNO — CID 130067119

IUPAC8-bromo-6-methylquinoline-3-carbaldehyde
SMILESCc1cc(Br)c2ncc(C=O)cc2c1
InChIInChI=1S/C11H8BrNO/c1-7-2-9-4-8(6-14)5-13-11(9)10(12)3-7/h2-6H,1H3
InChIKeyHGZDCWGCBONXIO-UHFFFAOYSA-N
MW250.09 g/mol
LogP3.12
Rot. Bonds1

About 8-bromo-6-methylquinoline-3-carbaldehyde

8-bromo-6-methylquinoline-3-carbaldehyde (PubChem CID 130067119) has the molecular formula C11H8BrNO and a molecular weight of 250.09 g/mol. Its IUPAC name is 8-bromo-6-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-bromo-6-methylquinoline-3-carbaldehyde
PubChem CID130067119
Molecular FormulaC11H8BrNO
Molecular Weight250.09 g/mol
Exact Mass248.98
IUPAC Name8-bromo-6-methylquinoline-3-carbaldehyde
SMILESCc1cc(Br)c2ncc(C=O)cc2c1
InChIInChI=1S/C11H8BrNO/c1-7-2-9-4-8(6-14)5-13-11(9)10(12)3-7/h2-6H,1H3
InChIKeyHGZDCWGCBONXIO-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 53.12
H-Bond Donors ≤ 50
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 8-bromo-6-methylquinoline-3-carbaldehyde?
The IUPAC name of 8-bromo-6-methylquinoline-3-carbaldehyde (CID 130067119) is 8-bromo-6-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 8-bromo-6-methylquinoline-3-carbaldehyde?
The canonical SMILES for 8-bromo-6-methylquinoline-3-carbaldehyde is Cc1cc(Br)c2ncc(C=O)cc2c1.
What is the InChIKey of 8-bromo-6-methylquinoline-3-carbaldehyde?
The InChIKey is HGZDCWGCBONXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c1-7-2-9-4-8(6-14)5-13-11(9)10(12)3-7/h2-6H,1H3.
What are the key properties of 8-bromo-6-methylquinoline-3-carbaldehyde?
8-bromo-6-methylquinoline-3-carbaldehyde has a molecular weight of 250.09 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 130067119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).