5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde

C11H7BrFNO — CID 97036774

IUPAC5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde
SMILESCc1cc(F)c2nc(C=O)ccc2c1Br
InChIInChI=1S/C11H7BrFNO/c1-6-4-9(13)11-8(10(6)12)3-2-7(5-15)14-11/h2-5H,1H3
InChIKeySBGDIUMQBDUNKV-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.26
Rot. Bonds1

About 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde

5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde (PubChem CID 97036774) has the molecular formula C11H7BrFNO and a molecular weight of 268.08 g/mol. Its IUPAC name is 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde
PubChem CID97036774
Molecular FormulaC11H7BrFNO
Molecular Weight268.08 g/mol
Exact Mass266.97
IUPAC Name5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde
SMILESCc1cc(F)c2nc(C=O)ccc2c1Br
InChIInChI=1S/C11H7BrFNO/c1-6-4-9(13)11-8(10(6)12)3-2-7(5-15)14-11/h2-5H,1H3
InChIKeySBGDIUMQBDUNKV-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.26
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 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde?
The IUPAC name of 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde (CID 97036774) is 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde.
What is the SMILES notation for 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde?
The canonical SMILES for 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde is Cc1cc(F)c2nc(C=O)ccc2c1Br.
What is the InChIKey of 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde?
The InChIKey is SBGDIUMQBDUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO/c1-6-4-9(13)11-8(10(6)12)3-2-7(5-15)14-11/h2-5H,1H3.
What are the key properties of 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde?
5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde has a molecular weight of 268.08 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde is sourced from PubChem (CID 97036774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).