4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde

C7H3BrClF2NO — CID 118811578

IUPAC4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C7H3BrClF2NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1-2,7H
InChIKeyPZUVUSDDQUKASH-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.25
Rot. Bonds2

About 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde

4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118811578) has the molecular formula C7H3BrClF2NO and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID118811578
Molecular FormulaC7H3BrClF2NO
Molecular Weight270.46 g/mol
Exact Mass268.91
IUPAC Name4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C7H3BrClF2NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1-2,7H
InChIKeyPZUVUSDDQUKASH-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118822221
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
CID 130069917
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118845258
3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
CID 130069374
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
2-(difluoromethyl)-5-iodopyridine-3-carbaldehyde
CID 118820492

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde (CID 118811578) is 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde is O=Cc1cnc(C(F)F)c(Cl)c1Br.
What is the InChIKey of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is PZUVUSDDQUKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1-2,7H.
What are the key properties of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde?
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-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 4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118811578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).