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

C7H4F2N2O3 — CID 130097967

IUPAC6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O3/c8-6(9)5-2-1-4(3-12)7(10-5)11(13)14/h1-3,6H
InChIKeySNQDDSCLFNUOOA-UHFFFAOYSA-N
MW202.12 g/mol
LogP1.74
Rot. Bonds3

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

6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde (PubChem CID 130097967) has the molecular formula C7H4F2N2O3 and a molecular weight of 202.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
PubChem CID130097967
Molecular FormulaC7H4F2N2O3
Molecular Weight202.12 g/mol
Exact Mass202.02
IUPAC Name6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O3/c8-6(9)5-2-1-4(3-12)7(10-5)11(13)14/h1-3,6H
InChIKeySNQDDSCLFNUOOA-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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Related Compounds

6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
CID 133099310
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134675700
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914
2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
CID 118820515
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
CID 118817999
2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
CID 118803878
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
CID 130084419
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
3-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130086628

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde (CID 130097967) is 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde is O=Cc1ccc(C(F)F)nc1[N+](=O)[O-].
What is the InChIKey of 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde?
The InChIKey is SNQDDSCLFNUOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O3/c8-6(9)5-2-1-4(3-12)7(10-5)11(13)14/h1-3,6H.
What are the key properties of 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde?
6-(difluoromethyl)-2-nitropyridine-3-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 6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 130097967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).