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

C8H6F2N2O4 — CID 133099310

IUPAC6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
SMILESCOc1cc(C(F)F)nc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H6F2N2O4/c1-16-6-2-5(7(9)10)11-8(12(14)15)4(6)3-13/h2-3,7H,1H3
InChIKeyILFJDAOFAUFKJD-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.75
Rot. Bonds4

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

6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde (PubChem CID 133099310) has the molecular formula C8H6F2N2O4 and a molecular weight of 232.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
PubChem CID133099310
Molecular FormulaC8H6F2N2O4
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
SMILESCOc1cc(C(F)F)nc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H6F2N2O4/c1-16-6-2-5(7(9)10)11-8(12(14)15)4(6)3-13/h2-3,7H,1H3
InChIKeyILFJDAOFAUFKJD-UHFFFAOYSA-N
XLogP1.75
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 51.75
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-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
CID 133099440
6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
CID 130097967
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
2-(difluoromethyl)-4-methoxy-6-nitropyridine
CID 118803609
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
methyl 2-[6-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133105138
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
2-[5-(difluoromethyl)-4-methoxy-6-nitro-2-pyridinyl]acetonitrile
CID 133099347
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde (CID 133099310) is 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde is COc1cc(C(F)F)nc([N+](=O)[O-])c1C=O.
What is the InChIKey of 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde?
The InChIKey is ILFJDAOFAUFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O4/c1-16-6-2-5(7(9)10)11-8(12(14)15)4(6)3-13/h2-3,7H,1H3.
What are the key properties of 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde?
6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde has a molecular weight of 232.14 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 133099310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).