5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde

C8H5BrClF2NO — CID 130075269

IUPAC5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(CBr)c(C(F)F)n1
InChIInChI=1S/C8H5BrClF2NO/c9-2-5-6(10)1-4(3-14)13-7(5)8(11)12/h1,3,8H,2H2
InChIKeyFGTKIUHKZDJRHQ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.38
Rot. Bonds3

About 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde

5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130075269) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130075269
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(CBr)c(C(F)F)n1
InChIInChI=1S/C8H5BrClF2NO/c9-2-5-6(10)1-4(3-14)13-7(5)8(11)12/h1,3,8H,2H2
InChIKeyFGTKIUHKZDJRHQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075297
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
3-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075274
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118801665
2-(difluoromethyl)-3-fluoro-6-formylpyridine-4-carbonitrile
CID 130076245
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130081877

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 130075269) is 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1cc(Cl)c(CBr)c(C(F)F)n1.
What is the InChIKey of 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is FGTKIUHKZDJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-2-5-6(10)1-4(3-14)13-7(5)8(11)12/h1,3,8H,2H2.
What are the key properties of 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 284.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130075269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).