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

C9H7F5N2O — CID 118819811

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7F5N2O/c10-8(11)7-5(9(12,13)14)1-4(3-17)16-6(7)2-15/h1,3,8H,2,15H2
InChIKeyRMCSJMLHHAJZIB-UHFFFAOYSA-N
MW254.16 g/mol
LogP2.31
Rot. Bonds3

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

6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118819811) has the molecular formula C9H7F5N2O and a molecular weight of 254.16 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID118819811
Molecular FormulaC9H7F5N2O
Molecular Weight254.16 g/mol
Exact Mass254.05
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7F5N2O/c10-8(11)7-5(9(12,13)14)1-4(3-17)16-6(7)2-15/h1,3,8H,2,15H2
InChIKeyRMCSJMLHHAJZIB-UHFFFAOYSA-N
XLogP2.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119008459
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118801665
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
CID 119010249

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde (CID 118819811) is 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde is NCc1nc(C=O)cc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is RMCSJMLHHAJZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O/c10-8(11)7-5(9(12,13)14)1-4(3-17)16-6(7)2-15/h1,3,8H,2,15H2.
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 254.16 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118819811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).