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

C6H2F3IN2O2 — CID 130079937

IUPAC3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(I)c(F)c1C(F)F
InChIInChI=1S/C6H2F3IN2O2/c7-4-2(10)1-11-6(12(13)14)3(4)5(8)9/h1,5H
InChIKeyAMDXIBNSHXYOSZ-UHFFFAOYSA-N
MW317.99 g/mol
LogP2.67
Rot. Bonds2

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

3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine (PubChem CID 130079937) has the molecular formula C6H2F3IN2O2 and a molecular weight of 317.99 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
PubChem CID130079937
Molecular FormulaC6H2F3IN2O2
Molecular Weight317.99 g/mol
Exact Mass317.91
IUPAC Name3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(I)c(F)c1C(F)F
InChIInChI=1S/C6H2F3IN2O2/c7-4-2(10)1-11-6(12(13)14)3(4)5(8)9/h1,5H
InChIKeyAMDXIBNSHXYOSZ-UHFFFAOYSA-N
XLogP2.67
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.99
LogP ≤ 52.67
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

4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-nitropyridine
CID 118807283
5-(chloromethyl)-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130081457
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182
3-(chloromethyl)-4-(difluoromethyl)-5-iodo-2-nitropyridine
CID 130086604
6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
2-[5-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetic acid
CID 133101070
4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
CID 118845695
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
CID 119010566
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
methyl 2-[4-(difluoromethyl)-5-iodo-2-nitro-3-pyridinyl]acetate
CID 133100899

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine?
The IUPAC name of 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine (CID 130079937) is 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine.
What is the SMILES notation for 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine?
The canonical SMILES for 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine is O=[N+]([O-])c1ncc(I)c(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine?
The InChIKey is AMDXIBNSHXYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3IN2O2/c7-4-2(10)1-11-6(12(13)14)3(4)5(8)9/h1,5H.
What are the key properties of 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine?
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine has a molecular weight of 317.99 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine is sourced from PubChem (CID 130079937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).