2-fluoro-3-hydroperoxy-4-iodopyridine

C5H3FINO2 — CID 163928506

IUPAC2-fluoro-3-hydroperoxy-4-iodopyridine
SMILESOOc1c(I)ccnc1F
InChIInChI=1S/C5H3FINO2/c6-5-4(10-9)3(7)1-2-8-5/h1-2,9H
InChIKeyRGPGSGBPLLVWRS-UHFFFAOYSA-N
MW254.99 g/mol
LogP1.68
Rot. Bonds1

About 2-fluoro-3-hydroperoxy-4-iodopyridine

2-fluoro-3-hydroperoxy-4-iodopyridine (PubChem CID 163928506) has the molecular formula C5H3FINO2 and a molecular weight of 254.99 g/mol. Its IUPAC name is 2-fluoro-3-hydroperoxy-4-iodopyridine.

Molecular Properties

Compound Name2-fluoro-3-hydroperoxy-4-iodopyridine
PubChem CID163928506
Molecular FormulaC5H3FINO2
Molecular Weight254.99 g/mol
Exact Mass254.92
IUPAC Name2-fluoro-3-hydroperoxy-4-iodopyridine
SMILESOOc1c(I)ccnc1F
InChIInChI=1S/C5H3FINO2/c6-5-4(10-9)3(7)1-2-8-5/h1-2,9H
InChIKeyRGPGSGBPLLVWRS-UHFFFAOYSA-N
XLogP1.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.99
LogP ≤ 51.68
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride
CID 146447713
(2S,4S)-4-fluoro-2-[(2-fluoro-4-iodo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 146447791
7-fluoro-4-iodoquinoline
CID 118066569
2-fluoro-4-iodopyridine-3-sulfonamide
CID 130882382
2-fluoro-4-iodo-3-nitropyridine
CID 130822930
2-fluoro-3-methoxy-4-methylpyridine
CID 123887347
4-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 119014421
3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal
CID 169460168
2-fluoro-3-(3-fluorophenyl)-4-iodopyridine
CID 46312521
[1-(2-fluoro-4-iodo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151106232
4-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 130092123
4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118833057

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroperoxy-4-iodopyridine?
The IUPAC name of 2-fluoro-3-hydroperoxy-4-iodopyridine (CID 163928506) is 2-fluoro-3-hydroperoxy-4-iodopyridine.
What is the SMILES notation for 2-fluoro-3-hydroperoxy-4-iodopyridine?
The canonical SMILES for 2-fluoro-3-hydroperoxy-4-iodopyridine is OOc1c(I)ccnc1F.
What is the InChIKey of 2-fluoro-3-hydroperoxy-4-iodopyridine?
The InChIKey is RGPGSGBPLLVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FINO2/c6-5-4(10-9)3(7)1-2-8-5/h1-2,9H.
What are the key properties of 2-fluoro-3-hydroperoxy-4-iodopyridine?
2-fluoro-3-hydroperoxy-4-iodopyridine has a molecular weight of 254.99 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroperoxy-4-iodopyridine is sourced from PubChem (CID 163928506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).