3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde

C7H3BrF3NO — CID 130109712

IUPAC3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(F)c(C(F)F)cc1Br
InChIInChI=1S/C7H3BrF3NO/c8-4-1-3(6(9)10)7(11)12-5(4)2-13/h1-2,6H
InChIKeyATVCXXKCQXJTTF-UHFFFAOYSA-N
MW254.00 g/mol
LogP2.73
Rot. Bonds2

About 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde

3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde (PubChem CID 130109712) has the molecular formula C7H3BrF3NO and a molecular weight of 254.00 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
PubChem CID130109712
Molecular FormulaC7H3BrF3NO
Molecular Weight254.00 g/mol
Exact Mass252.94
IUPAC Name3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(F)c(C(F)F)cc1Br
InChIInChI=1S/C7H3BrF3NO/c8-4-1-3(6(9)10)7(11)12-5(4)2-13/h1-2,6H
InChIKeyATVCXXKCQXJTTF-UHFFFAOYSA-N
XLogP2.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.00
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(difluoromethyl)-6-fluoropyridin-2-amine
CID 118999087
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
CID 130109497
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130068407
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130070871
4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130070650
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366
3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102096

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde (CID 130109712) is 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde is O=Cc1nc(F)c(C(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
The InChIKey is ATVCXXKCQXJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO/c8-4-1-3(6(9)10)7(11)12-5(4)2-13/h1-2,6H.
What are the key properties of 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde?
3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde has a molecular weight of 254.00 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 130109712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).