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

C9H5BrF5NO — CID 118801665

IUPAC4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(CBr)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H5BrF5NO/c10-2-4-1-5(3-17)16-7(9(13,14)15)6(4)8(11)12/h1,3,8H,2H2
InChIKeyYUDNMJQOBAXHOQ-UHFFFAOYSA-N
MW318.04 g/mol
LogP3.75
Rot. Bonds3

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

4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118801665) has the molecular formula C9H5BrF5NO and a molecular weight of 318.04 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID118801665
Molecular FormulaC9H5BrF5NO
Molecular Weight318.04 g/mol
Exact Mass316.95
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cc(CBr)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H5BrF5NO/c10-2-4-1-5(3-17)16-7(9(13,14)15)6(4)8(11)12/h1,3,8H,2H2
InChIKeyYUDNMJQOBAXHOQ-UHFFFAOYSA-N
XLogP3.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.04
LogP ≤ 53.75
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

4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119008459
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130084707

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde (CID 118801665) is 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1cc(CBr)c(C(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is YUDNMJQOBAXHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF5NO/c10-2-4-1-5(3-17)16-7(9(13,14)15)6(4)8(11)12/h1,3,8H,2H2.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 318.04 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118801665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).