6-bromo-4-fluorocinnoline-3-carbaldehyde

C9H4BrFN2O — CID 168823478

IUPAC6-bromo-4-fluorocinnoline-3-carbaldehyde
SMILESO=Cc1nnc2ccc(Br)cc2c1F
InChIInChI=1S/C9H4BrFN2O/c10-5-1-2-7-6(3-5)9(11)8(4-14)13-12-7/h1-4H
InChIKeyYMBFPZWMUNZFKA-UHFFFAOYSA-N
MW255.05 g/mol
LogP2.34
Rot. Bonds1

About 6-bromo-4-fluorocinnoline-3-carbaldehyde

6-bromo-4-fluorocinnoline-3-carbaldehyde (PubChem CID 168823478) has the molecular formula C9H4BrFN2O and a molecular weight of 255.05 g/mol. Its IUPAC name is 6-bromo-4-fluorocinnoline-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-4-fluorocinnoline-3-carbaldehyde
PubChem CID168823478
Molecular FormulaC9H4BrFN2O
Molecular Weight255.05 g/mol
Exact Mass253.95
IUPAC Name6-bromo-4-fluorocinnoline-3-carbaldehyde
SMILESO=Cc1nnc2ccc(Br)cc2c1F
InChIInChI=1S/C9H4BrFN2O/c10-5-1-2-7-6(3-5)9(11)8(4-14)13-12-7/h1-4H
InChIKeyYMBFPZWMUNZFKA-UHFFFAOYSA-N
XLogP2.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-bromoquinoline-3-carbaldehyde
CID 144846091
6-bromo-1,2,3,4-tetrafluoronaphthalene
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5-bromo-3-fluoro-2H-indazole
CID 66793399
1,6-dibromonaphthalene-2-carbaldehyde
CID 88724899
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
5-bromo-2-(4-bromo-2-formylphenyl)benzaldehyde
CID 11326094
6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid
CID 175032908
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 170900003
6-bromo-2-chloro-4-propan-2-ylquinoline-3-carbaldehyde
CID 84645447

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluorocinnoline-3-carbaldehyde?
The IUPAC name of 6-bromo-4-fluorocinnoline-3-carbaldehyde (CID 168823478) is 6-bromo-4-fluorocinnoline-3-carbaldehyde.
What is the SMILES notation for 6-bromo-4-fluorocinnoline-3-carbaldehyde?
The canonical SMILES for 6-bromo-4-fluorocinnoline-3-carbaldehyde is O=Cc1nnc2ccc(Br)cc2c1F.
What is the InChIKey of 6-bromo-4-fluorocinnoline-3-carbaldehyde?
The InChIKey is YMBFPZWMUNZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFN2O/c10-5-1-2-7-6(3-5)9(11)8(4-14)13-12-7/h1-4H.
What are the key properties of 6-bromo-4-fluorocinnoline-3-carbaldehyde?
6-bromo-4-fluorocinnoline-3-carbaldehyde has a molecular weight of 255.05 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluorocinnoline-3-carbaldehyde is sourced from PubChem (CID 168823478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).