5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde

C7H4BrF2NO — CID 130095219

IUPAC5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF2NO/c8-4-1-5(7(9)10)6(3-12)11-2-4/h1-3,7H
InChIKeyYGUJLPWVIRMINI-UHFFFAOYSA-N
MW236.02 g/mol
LogP2.59
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde

5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130095219) has the molecular formula C7H4BrF2NO and a molecular weight of 236.02 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130095219
Molecular FormulaC7H4BrF2NO
Molecular Weight236.02 g/mol
Exact Mass234.94
IUPAC Name5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF2NO/c8-4-1-5(7(9)10)6(3-12)11-2-4/h1-3,7H
InChIKeyYGUJLPWVIRMINI-UHFFFAOYSA-N
XLogP2.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 130099393
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157
3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 130109712
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde
CID 169131271
5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082471
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130068407
5-(difluoromethyl)-4-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104330

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde (CID 130095219) is 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1ncc(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is YGUJLPWVIRMINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO/c8-4-1-5(7(9)10)6(3-12)11-2-4/h1-3,7H.
What are the key properties of 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 236.02 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130095219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).