5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde

C7H3F2IN2O3 — CID 130086717

IUPAC5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
SMILESO=Cc1c([N+](=O)[O-])ncc(C(F)F)c1I
InChIInChI=1S/C7H3F2IN2O3/c8-6(9)3-1-11-7(12(14)15)4(2-13)5(3)10/h1-2,6H
InChIKeyNSWFLPHEUCFXSF-UHFFFAOYSA-N
MW328.01 g/mol
LogP2.34
Rot. Bonds3

About 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde

5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde (PubChem CID 130086717) has the molecular formula C7H3F2IN2O3 and a molecular weight of 328.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
PubChem CID130086717
Molecular FormulaC7H3F2IN2O3
Molecular Weight328.01 g/mol
Exact Mass327.92
IUPAC Name5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
SMILESO=Cc1c([N+](=O)[O-])ncc(C(F)F)c1I
InChIInChI=1S/C7H3F2IN2O3/c8-6(9)3-1-11-7(12(14)15)4(2-13)5(3)10/h1-2,6H
InChIKeyNSWFLPHEUCFXSF-UHFFFAOYSA-N
XLogP2.34
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.01
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
4-(difluoromethyl)-3-iodo-2-nitropyridine
CID 118807047
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
CID 118833462
5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
CID 130086220
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134676264

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde (CID 130086717) is 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde is O=Cc1c([N+](=O)[O-])ncc(C(F)F)c1I.
What is the InChIKey of 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde?
The InChIKey is NSWFLPHEUCFXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2O3/c8-6(9)3-1-11-7(12(14)15)4(2-13)5(3)10/h1-2,6H.
What are the key properties of 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde?
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde has a molecular weight of 328.01 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 130086717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).