6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde

C8H3F5N2O4 — CID 134682914

IUPAC6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H3F5N2O4/c9-6(10)4-1-3(2-16)5(15(17)18)7(14-4)19-8(11,12)13/h1-2,6H
InChIKeyAMSSNPAHLCHFSR-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.64
Rot. Bonds4

About 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde

6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 134682914) has the molecular formula C8H3F5N2O4 and a molecular weight of 286.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID134682914
Molecular FormulaC8H3F5N2O4
Molecular Weight286.11 g/mol
Exact Mass286.00
IUPAC Name6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H3F5N2O4/c9-6(10)4-1-3(2-16)5(15(17)18)7(14-4)19-8(11,12)13/h1-2,6H
InChIKeyAMSSNPAHLCHFSR-UHFFFAOYSA-N
XLogP2.64
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
2-[6-(difluoromethyl)-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133096242
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
CID 118820515
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 134682914) is 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde is O=Cc1cc(C(F)F)nc(OC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is AMSSNPAHLCHFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O4/c9-6(10)4-1-3(2-16)5(15(17)18)7(14-4)19-8(11,12)13/h1-2,6H.
What are the key properties of 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 286.11 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 134682914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).