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

C8H4F5NO3 — CID 118845710

IUPAC4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H4F5NO3/c9-6(10)5-3(2-15)7(16)14-1-4(5)17-8(11,12)13/h1-2,6H,(H,14,16)
InChIKeyZHXZAWCIBIXNSZ-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.02
Rot. Bonds3

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

4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (PubChem CID 118845710) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
PubChem CID118845710
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H4F5NO3/c9-6(10)5-3(2-15)7(16)14-1-4(5)17-8(11,12)13/h1-2,6H,(H,14,16)
InChIKeyZHXZAWCIBIXNSZ-UHFFFAOYSA-N
XLogP2.02
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.02
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

CID 118801357
CID 118801357
CID 118806269
CID 118806269
CID 118812225
CID 118812225
CID 118812923
CID 118812923
CID 118817558
CID 118817558
CID 118818291
CID 118818291
CID 118823197
CID 118823197
CID 118829514
CID 118829514
CID 118829902
CID 118829902
CID 118840060
CID 118840060
CID 118846612
CID 118846612
CID 118852288
CID 118852288

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (CID 118845710) is 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)c(OC(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The InChIKey is ZHXZAWCIBIXNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-6(10)5-3(2-15)7(16)14-1-4(5)17-8(11,12)13/h1-2,6H,(H,14,16).
What are the key properties of 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde has a molecular weight of 257.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118845710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).