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

C7H3F3N2O3 — CID 118820515

IUPAC2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
SMILESO=Cc1cc(F)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F3N2O3/c8-4-1-3(2-13)6(12(14)15)5(11-4)7(9)10/h1-2,7H
InChIKeyVIPMPVGWTWRLLF-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.88
Rot. Bonds3

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

2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde (PubChem CID 118820515) has the molecular formula C7H3F3N2O3 and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
PubChem CID118820515
Molecular FormulaC7H3F3N2O3
Molecular Weight220.11 g/mol
Exact Mass220.01
IUPAC Name2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
SMILESO=Cc1cc(F)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F3N2O3/c8-4-1-3(2-13)6(12(14)15)5(11-4)7(9)10/h1-2,7H
InChIKeyVIPMPVGWTWRLLF-UHFFFAOYSA-N
XLogP1.88
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
CID 118803878
2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
CID 118803582
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
CID 130069917
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 130106838
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
CID 130097967
methyl 2-[4-(difluoromethyl)-6-fluoro-3-nitro-2-pyridinyl]acetate
CID 133105165

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde (CID 118820515) is 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde is O=Cc1cc(F)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde?
The InChIKey is VIPMPVGWTWRLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O3/c8-4-1-3(2-13)6(12(14)15)5(11-4)7(9)10/h1-2,7H.
What are the key properties of 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde?
2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde has a molecular weight of 220.11 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde is sourced from PubChem (CID 118820515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).