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

C6H2F2I2N2O2 — CID 118842792

IUPAC2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
SMILESO=[N+]([O-])c1cc(I)c(I)c(C(F)F)n1
InChIInChI=1S/C6H2F2I2N2O2/c7-6(8)5-4(10)2(9)1-3(11-5)12(13)14/h1,6H
InChIKeyZXGQGBQUAIPPAZ-UHFFFAOYSA-N
MW425.90 g/mol
LogP3.14
Rot. Bonds2

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

2-(difluoromethyl)-3,4-diiodo-6-nitropyridine (PubChem CID 118842792) has the molecular formula C6H2F2I2N2O2 and a molecular weight of 425.90 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
PubChem CID118842792
Molecular FormulaC6H2F2I2N2O2
Molecular Weight425.90 g/mol
Exact Mass425.82
IUPAC Name2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
SMILESO=[N+]([O-])c1cc(I)c(I)c(C(F)F)n1
InChIInChI=1S/C6H2F2I2N2O2/c7-6(8)5-4(10)2(9)1-3(11-5)12(13)14/h1,6H
InChIKeyZXGQGBQUAIPPAZ-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': '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

3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
CID 118826585
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
methyl 2-[2-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetate
CID 133101527
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-(difluoromethyl)-6-fluoro-3,4-diiodopyridine
CID 118842841
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine?
The IUPAC name of 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine (CID 118842792) is 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine.
What is the SMILES notation for 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine?
The canonical SMILES for 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine is O=[N+]([O-])c1cc(I)c(I)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine?
The InChIKey is ZXGQGBQUAIPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2I2N2O2/c7-6(8)5-4(10)2(9)1-3(11-5)12(13)14/h1,6H.
What are the key properties of 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine?
2-(difluoromethyl)-3,4-diiodo-6-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 2-(difluoromethyl)-3,4-diiodo-6-nitropyridine is sourced from PubChem (CID 118842792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).