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

C8H4F5NO2 — CID 118806269

IUPAC4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H4F5NO2/c9-6(10)5-3(2-15)7(16)14-1-4(5)8(11,12)13/h1-2,6H,(H,14,16)
InChIKeyOTDUDMLZXRADPY-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.14
Rot. Bonds2

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

4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 118806269) has the molecular formula C8H4F5NO2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID118806269
Molecular FormulaC8H4F5NO2
Molecular Weight241.12 g/mol
Exact Mass241.02
IUPAC Name4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H4F5NO2/c9-6(10)5-3(2-15)7(16)14-1-4(5)8(11,12)13/h1-2,6H,(H,14,16)
InChIKeyOTDUDMLZXRADPY-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 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 118806269) is 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)c(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is OTDUDMLZXRADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-6(10)5-3(2-15)7(16)14-1-4(5)8(11,12)13/h1-2,6H,(H,14,16).
What are the key properties of 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-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 4-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118806269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).