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

C7H3BrClF2NO — CID 130108233

IUPAC3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(Cl)c1Br
InChIInChI=1S/C7H3BrClF2NO/c8-5-4(2-13)3(7(10)11)1-12-6(5)9/h1-2,7H
InChIKeyUHTUDORKTYIOBD-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.25
Rot. Bonds2

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

3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130108233) has the molecular formula C7H3BrClF2NO and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID130108233
Molecular FormulaC7H3BrClF2NO
Molecular Weight270.46 g/mol
Exact Mass268.91
IUPAC Name3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(Cl)c1Br
InChIInChI=1S/C7H3BrClF2NO/c8-5-4(2-13)3(7(10)11)1-12-6(5)9/h1-2,7H
InChIKeyUHTUDORKTYIOBD-UHFFFAOYSA-N
XLogP3.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.25
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

2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
CID 131322690
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde (CID 130108233) is 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde is O=Cc1c(C(F)F)cnc(Cl)c1Br.
What is the InChIKey of 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is UHTUDORKTYIOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO/c8-5-4(2-13)3(7(10)11)1-12-6(5)9/h1-2,7H.
What are the key properties of 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 270.46 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).