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

C8H5BrClF2NO — CID 130070661

IUPAC5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(CCl)ncc(Br)c1C(F)F
InChIInChI=1S/C8H5BrClF2NO/c9-5-2-13-6(1-10)4(3-14)7(5)8(11)12/h2-3,8H,1H2
InChIKeyNWKCNMKQQSLXPS-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde

5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 130070661) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID130070661
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(CCl)ncc(Br)c1C(F)F
InChIInChI=1S/C8H5BrClF2NO/c9-5-2-13-6(1-10)4(3-14)7(5)8(11)12/h2-3,8H,1H2
InChIKeyNWKCNMKQQSLXPS-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-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 118826919
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
CID 130109713
5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130101968
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122
4-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070692
2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 118849586
[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde (CID 130070661) is 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(CCl)ncc(Br)c1C(F)F.
What is the InChIKey of 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is NWKCNMKQQSLXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-5-2-13-6(1-10)4(3-14)7(5)8(11)12/h2-3,8H,1H2.
What are the key properties of 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde?
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-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 5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130070661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).