5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde

C7H4F2N2O4 — CID 130084419

IUPAC5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc([N+](=O)[O-])c(C(F)F)cc1O
InChIInChI=1S/C7H4F2N2O4/c8-6(9)3-1-5(13)4(2-12)10-7(3)11(14)15/h1-2,6,13H
InChIKeyXUUYXWMZICXJDT-UHFFFAOYSA-N
MW218.12 g/mol
LogP1.45
Rot. Bonds3

About 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde

5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde (PubChem CID 130084419) has the molecular formula C7H4F2N2O4 and a molecular weight of 218.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
PubChem CID130084419
Molecular FormulaC7H4F2N2O4
Molecular Weight218.12 g/mol
Exact Mass218.01
IUPAC Name5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc([N+](=O)[O-])c(C(F)F)cc1O
InChIInChI=1S/C7H4F2N2O4/c8-6(9)3-1-5(13)4(2-12)10-7(3)11(14)15/h1-2,6,13H
InChIKeyXUUYXWMZICXJDT-UHFFFAOYSA-N
XLogP1.45
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
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)-3-hydroxy-6-iodopyridine-2-carbaldehyde
CID 130082840
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
CID 118817249
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
CID 130074727

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde (CID 130084419) is 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde is O=Cc1nc([N+](=O)[O-])c(C(F)F)cc1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde?
The InChIKey is XUUYXWMZICXJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O4/c8-6(9)3-1-5(13)4(2-12)10-7(3)11(14)15/h1-2,6,13H.
What are the key properties of 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde?
5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde has a molecular weight of 218.12 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 130084419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).