4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde

C8H5BrClF2NO — CID 130070650

IUPAC4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(CCl)cc(Br)c1C(F)F
InChIInChI=1S/C8H5BrClF2NO/c9-5-1-4(2-10)13-6(3-14)7(5)8(11)12/h1,3,8H,2H2
InChIKeyXGELHGOBDPPSMR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.33
Rot. Bonds3

About 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde

4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130070650) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130070650
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(CCl)cc(Br)c1C(F)F
InChIInChI=1S/C8H5BrClF2NO/c9-5-1-4(2-10)13-6(3-14)7(5)8(11)12/h1,3,8H,2H2
InChIKeyXGELHGOBDPPSMR-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107570
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470
6-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081881
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 118844660
3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 130109712
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599
2-[4-bromo-6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070557
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde (CID 130070650) is 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(CCl)cc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is XGELHGOBDPPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-5-1-4(2-10)13-6(3-14)7(5)8(11)12/h1,3,8H,2H2.
What are the key properties of 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde?
4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 284.49 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130070650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).