5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde

C8H4F5NO2 — CID 130085424

IUPAC5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]cc(C(F)F)c(=O)c1C(F)(F)F
InChIInChI=1S/C8H4F5NO2/c9-7(10)3-1-14-4(2-15)5(6(3)16)8(11,12)13/h1-2,7H,(H,14,16)
InChIKeyQOKARDTVSQAURP-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.14
Rot. Bonds2

About 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde

5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde (PubChem CID 130085424) has the molecular formula C8H4F5NO2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
PubChem CID130085424
Molecular FormulaC8H4F5NO2
Molecular Weight241.12 g/mol
Exact Mass241.02
IUPAC Name5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]cc(C(F)F)c(=O)c1C(F)(F)F
InChIInChI=1S/C8H4F5NO2/c9-7(10)3-1-14-4(2-15)5(6(3)16)8(11,12)13/h1-2,7H,(H,14,16)
InChIKeyQOKARDTVSQAURP-UHFFFAOYSA-N
XLogP2.14
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde (CID 130085424) is 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde is O=Cc1[nH]cc(C(F)F)c(=O)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
The InChIKey is QOKARDTVSQAURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-7(10)3-1-14-4(2-15)5(6(3)16)8(11,12)13/h1-2,7H,(H,14,16).
What are the key properties of 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde has a molecular weight of 241.12 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 130085424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).