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

C7H4F2N2O3 — CID 130097976

IUPAC5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O3/c8-7(9)4-1-6(11(13)14)5(3-12)10-2-4/h1-3,7H
InChIKeyZONXERKADGMGFC-UHFFFAOYSA-N
MW202.12 g/mol
LogP1.74
Rot. Bonds3

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

5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde (PubChem CID 130097976) has the molecular formula C7H4F2N2O3 and a molecular weight of 202.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde
PubChem CID130097976
Molecular FormulaC7H4F2N2O3
Molecular Weight202.12 g/mol
Exact Mass202.02
IUPAC Name5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O3/c8-7(9)4-1-6(11(13)14)5(3-12)10-2-4/h1-3,7H
InChIKeyZONXERKADGMGFC-UHFFFAOYSA-N
XLogP1.74
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde (CID 130097976) is 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde is O=Cc1ncc(C(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde?
The InChIKey is ZONXERKADGMGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O3/c8-7(9)4-1-6(11(13)14)5(3-12)10-2-4/h1-3,7H.
What are the key properties of 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde?
5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde has a molecular weight of 202.12 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 130097976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).