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

C8H6F2N2O4 — CID 118817249

IUPAC4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
SMILESCOc1c(C(F)F)cc([N+](=O)[O-])nc1C=O
InChIInChI=1S/C8H6F2N2O4/c1-16-7-4(8(9)10)2-6(12(14)15)11-5(7)3-13/h2-3,8H,1H3
InChIKeyQJVNEVGWTDGVCN-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.75
Rot. Bonds4

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

4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde (PubChem CID 118817249) has the molecular formula C8H6F2N2O4 and a molecular weight of 232.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
PubChem CID118817249
Molecular FormulaC8H6F2N2O4
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
SMILESCOc1c(C(F)F)cc([N+](=O)[O-])nc1C=O
InChIInChI=1S/C8H6F2N2O4/c1-16-7-4(8(9)10)2-6(12(14)15)11-5(7)3-13/h2-3,8H,1H3
InChIKeyQJVNEVGWTDGVCN-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

4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
CID 130068676
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470
4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
CID 130105846
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
CID 130084419
methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
CID 133103216
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
2-(difluoromethyl)-4-methoxy-6-nitropyridine
CID 118803609
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde (CID 118817249) is 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde is COc1c(C(F)F)cc([N+](=O)[O-])nc1C=O.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde?
The InChIKey is QJVNEVGWTDGVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O4/c1-16-7-4(8(9)10)2-6(12(14)15)11-5(7)3-13/h2-3,8H,1H3.
What are the key properties of 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde?
4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-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 4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 118817249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).