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

C7H4BrF2NO — CID 118844660

IUPAC4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nccc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO/c8-4-1-2-11-5(3-12)6(4)7(9)10/h1-3,7H
InChIKeyUVCSEIGKESYEPB-UHFFFAOYSA-N
MW236.02 g/mol
LogP2.59
Rot. Bonds2

About 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde

4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118844660) has the molecular formula C7H4BrF2NO and a molecular weight of 236.02 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID118844660
Molecular FormulaC7H4BrF2NO
Molecular Weight236.02 g/mol
Exact Mass234.94
IUPAC Name4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nccc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO/c8-4-1-2-11-5(3-12)6(4)7(9)10/h1-3,7H
InChIKeyUVCSEIGKESYEPB-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

5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
4-bromo-3-nitropyridine-2-carbaldehyde
CID 90847348
4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130070650
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470
4-amino-3-bromopyridine-2-carbaldehyde
CID 118845870
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
CID 130109713
3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
CID 130079623
4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130087191
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde (CID 118844660) is 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1nccc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is UVCSEIGKESYEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO/c8-4-1-2-11-5(3-12)6(4)7(9)10/h1-3,7H.
What are the key properties of 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde?
4-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 4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118844660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).