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

C6H2F3IN2O2 — CID 118845695

IUPAC4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C6H2F3IN2O2/c7-5(8)3-2(12(13)14)1-11-6(9)4(3)10/h1,5H
InChIKeyJRZPVCCLXCOUDY-UHFFFAOYSA-N
MW317.99 g/mol
LogP2.67
Rot. Bonds2

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

4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine (PubChem CID 118845695) has the molecular formula C6H2F3IN2O2 and a molecular weight of 317.99 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
PubChem CID118845695
Molecular FormulaC6H2F3IN2O2
Molecular Weight317.99 g/mol
Exact Mass317.91
IUPAC Name4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C6H2F3IN2O2/c7-5(8)3-2(12(13)14)1-11-6(9)4(3)10/h1,5H
InChIKeyJRZPVCCLXCOUDY-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': '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

2-[4-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetonitrile
CID 118829553
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
[4-(difluoromethyl)-6-fluoro-5-nitro-3-pyridinyl]methanamine
CID 130081363
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
CID 130086553
2-bromo-4-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118992528

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine (CID 118845695) is 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine is O=[N+]([O-])c1cnc(F)c(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine?
The InChIKey is JRZPVCCLXCOUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3IN2O2/c7-5(8)3-2(12(13)14)1-11-6(9)4(3)10/h1,5H.
What are the key properties of 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine?
4-(difluoromethyl)-2-fluoro-3-iodo-5-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 4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine is sourced from PubChem (CID 118845695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).