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

C8H3F5N2O4 — CID 134671187

IUPAC5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc([N+](=O)[O-])c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O4/c9-6(10)4-5(19-8(11,12)13)3(2-16)1-14-7(4)15(17)18/h1-2,6H
InChIKeyJSCORAJOVMSKPI-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.64
Rot. Bonds4

About 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde

5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134671187) has the molecular formula C8H3F5N2O4 and a molecular weight of 286.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134671187
Molecular FormulaC8H3F5N2O4
Molecular Weight286.11 g/mol
Exact Mass286.00
IUPAC Name5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc([N+](=O)[O-])c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O4/c9-6(10)4-5(19-8(11,12)13)3(2-16)1-14-7(4)15(17)18/h1-2,6H
InChIKeyJSCORAJOVMSKPI-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

5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134682696
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278
5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134676264
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
6-methoxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660091
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134673019
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134671187) is 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cnc([N+](=O)[O-])c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is JSCORAJOVMSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O4/c9-6(10)4-5(19-8(11,12)13)3(2-16)1-14-7(4)15(17)18/h1-2,6H.
What are the key properties of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-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 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134671187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).