6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde

C8H3F5N2O3 — CID 118820580

IUPAC6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H3F5N2O3/c9-7(10)6-5(15(17)18)1-3(8(11,12)13)4(2-16)14-6/h1-2,7H
InChIKeyCERSJNWUEKNQHN-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.76
Rot. Bonds3

About 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde

6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118820580) has the molecular formula C8H3F5N2O3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID118820580
Molecular FormulaC8H3F5N2O3
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Name6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H3F5N2O3/c9-7(10)6-5(15(17)18)1-3(8(11,12)13)4(2-16)14-6/h1-2,7H
InChIKeyCERSJNWUEKNQHN-UHFFFAOYSA-N
XLogP2.76
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118820982

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde (CID 118820580) is 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is CERSJNWUEKNQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O3/c9-7(10)6-5(15(17)18)1-3(8(11,12)13)4(2-16)14-6/h1-2,7H.
What are the key properties of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde?
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 270.11 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118820580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).