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

C8H5F5N2O — CID 119008459

IUPAC6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESNc1nc(C=O)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5N2O/c9-6(10)5-4(8(11,12)13)1-3(2-16)15-7(5)14/h1-2,6H,(H2,14,15)
InChIKeyBNXPZNZDSHVWMK-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.43
Rot. Bonds2

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

6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 119008459) has the molecular formula C8H5F5N2O and a molecular weight of 240.13 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID119008459
Molecular FormulaC8H5F5N2O
Molecular Weight240.13 g/mol
Exact Mass240.03
IUPAC Name6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESNc1nc(C=O)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5N2O/c9-6(10)5-4(8(11,12)13)1-3(2-16)15-7(5)14/h1-2,6H,(H2,14,15)
InChIKeyBNXPZNZDSHVWMK-UHFFFAOYSA-N
XLogP2.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.43
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)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
CID 119010249
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
methyl 2-[6-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671583
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118801665
6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118997022
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677513
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828
2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118832698
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde (CID 119008459) is 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde is Nc1nc(C=O)cc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is BNXPZNZDSHVWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O/c9-6(10)5-4(8(11,12)13)1-3(2-16)15-7(5)14/h1-2,6H,(H2,14,15).
What are the key properties of 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 240.13 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 119008459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).