3-(difluoromethyl)-4,6-diiodo-2-nitropyridine

C6H2F2I2N2O2 — CID 130100550

IUPAC3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
SMILESO=[N+]([O-])c1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C6H2F2I2N2O2/c7-5(8)4-2(9)1-3(10)11-6(4)12(13)14/h1,5H
InChIKeyBOQYCLSBWSDOFT-UHFFFAOYSA-N
MW425.90 g/mol
LogP3.14
Rot. Bonds2

About 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine

3-(difluoromethyl)-4,6-diiodo-2-nitropyridine (PubChem CID 130100550) has the molecular formula C6H2F2I2N2O2 and a molecular weight of 425.90 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
PubChem CID130100550
Molecular FormulaC6H2F2I2N2O2
Molecular Weight425.90 g/mol
Exact Mass425.82
IUPAC Name3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
SMILESO=[N+]([O-])c1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C6H2F2I2N2O2/c7-5(8)4-2(9)1-3(10)11-6(4)12(13)14/h1,5H
InChIKeyBOQYCLSBWSDOFT-UHFFFAOYSA-N
XLogP3.14
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
CID 130100478
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
2-[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]acetic acid
CID 118835338
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-nitropyridine
CID 118807283
3-(chloromethyl)-4-(difluoromethyl)-5-iodo-2-nitropyridine
CID 130086604
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine?
The IUPAC name of 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine (CID 130100550) is 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine.
What is the SMILES notation for 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine?
The canonical SMILES for 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine is O=[N+]([O-])c1nc(I)cc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine?
The InChIKey is BOQYCLSBWSDOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2I2N2O2/c7-5(8)4-2(9)1-3(10)11-6(4)12(13)14/h1,5H.
What are the key properties of 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine?
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine has a molecular weight of 425.90 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,6-diiodo-2-nitropyridine is sourced from PubChem (CID 130100550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).