3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde

C7H3BrF3NO — CID 130109704

IUPAC3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)c(C(F)F)c1Br
InChIInChI=1S/C7H3BrF3NO/c8-6-4(2-13)12-1-3(9)5(6)7(10)11/h1-2,7H
InChIKeyRGNKKJOAQTUKKQ-UHFFFAOYSA-N
MW254.00 g/mol
LogP2.73
Rot. Bonds2

About 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde

3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde (PubChem CID 130109704) has the molecular formula C7H3BrF3NO and a molecular weight of 254.00 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
PubChem CID130109704
Molecular FormulaC7H3BrF3NO
Molecular Weight254.00 g/mol
Exact Mass252.94
IUPAC Name3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)c(C(F)F)c1Br
InChIInChI=1S/C7H3BrF3NO/c8-6-4(2-13)12-1-3(9)5(6)7(10)11/h1-2,7H
InChIKeyRGNKKJOAQTUKKQ-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
CID 130079623
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde
CID 131344298
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde (CID 130109704) is 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde is O=Cc1ncc(F)c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
The InChIKey is RGNKKJOAQTUKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO/c8-6-4(2-13)12-1-3(9)5(6)7(10)11/h1-2,7H.
What are the key properties of 3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
3-bromo-4-(difluoromethyl)-5-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-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 130109704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).