6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde

C7H4F2N2O4 — CID 130084402

IUPAC6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H4F2N2O4/c8-7(9)3-1-5(11(14)15)6(13)4(2-12)10-3/h1-2,7,13H
InChIKeyNCNGOUXBSSVFMK-UHFFFAOYSA-N
MW218.12 g/mol
LogP1.45
Rot. Bonds3

About 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde

6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde (PubChem CID 130084402) has the molecular formula C7H4F2N2O4 and a molecular weight of 218.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
PubChem CID130084402
Molecular FormulaC7H4F2N2O4
Molecular Weight218.12 g/mol
Exact Mass218.01
IUPAC Name6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H4F2N2O4/c8-7(9)3-1-5(11(14)15)6(13)4(2-12)10-3/h1-2,7,13H
InChIKeyNCNGOUXBSSVFMK-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

2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 118832789
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756
methyl 2-[6-(difluoromethyl)-3-hydroxy-4-nitro-2-pyridinyl]acetate
CID 133103089
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
CID 130084419
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carboxylic acid
CID 119021392
[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119006327

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde (CID 130084402) is 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde is O=Cc1nc(C(F)F)cc([N+](=O)[O-])c1O.
What is the InChIKey of 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde?
The InChIKey is NCNGOUXBSSVFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O4/c8-7(9)3-1-5(11(14)15)6(13)4(2-12)10-3/h1-2,7,13H.
What are the key properties of 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde?
6-(difluoromethyl)-3-hydroxy-4-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 6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 130084402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).