3-bromo-4-fluoro-2-iodopyridine

C5H2BrFIN — CID 130632617

IUPAC3-bromo-4-fluoro-2-iodopyridine
SMILESFc1ccnc(I)c1Br
InChIInChI=1S/C5H2BrFIN/c6-4-3(7)1-2-9-5(4)8/h1-2H
InChIKeyNKFSYYFKPQQOBY-UHFFFAOYSA-N
MW301.88 g/mol
LogP2.59
Rot. Bonds

About 3-bromo-4-fluoro-2-iodopyridine

3-bromo-4-fluoro-2-iodopyridine (PubChem CID 130632617) has the molecular formula C5H2BrFIN and a molecular weight of 301.88 g/mol. Its IUPAC name is 3-bromo-4-fluoro-2-iodopyridine.

Molecular Properties

Compound Name3-bromo-4-fluoro-2-iodopyridine
PubChem CID130632617
Molecular FormulaC5H2BrFIN
Molecular Weight301.88 g/mol
Exact Mass300.84
IUPAC Name3-bromo-4-fluoro-2-iodopyridine
SMILESFc1ccnc(I)c1Br
InChIInChI=1S/C5H2BrFIN/c6-4-3(7)1-2-9-5(4)8/h1-2H
InChIKeyNKFSYYFKPQQOBY-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-2-iodopyridine
CID 129282241
3-bromo-4-fluoropyridin-2-amine
CID 71627068
3-(bromomethyl)-4-fluoro-2-iodopyridine
CID 130935790
3-bromo-4-fluoro-2-(trifluoromethyl)pyridine
CID 118704099
2-bromo-4-fluoro-3-(trifluoromethyl)pyridine
CID 118704096
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401
4-bromo-2-iodo-3-methylpyridine
CID 118817621
8-bromo-7-fluoro-1-methylisoquinoline
CID 136575901
2-chloro-3-ethenyl-4-fluoropyridine
CID 74891735
8-bromo-7-fluoro-3-iodoquinoline
CID 155778437
sulfane;2,3,4-trifluoropyridine
CID 158959842
2-bromo-4-fluoropyridine-3-sulfonyl chloride
CID 131029000

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-2-iodopyridine?
The IUPAC name of 3-bromo-4-fluoro-2-iodopyridine (CID 130632617) is 3-bromo-4-fluoro-2-iodopyridine.
What is the SMILES notation for 3-bromo-4-fluoro-2-iodopyridine?
The canonical SMILES for 3-bromo-4-fluoro-2-iodopyridine is Fc1ccnc(I)c1Br.
What is the InChIKey of 3-bromo-4-fluoro-2-iodopyridine?
The InChIKey is NKFSYYFKPQQOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrFIN/c6-4-3(7)1-2-9-5(4)8/h1-2H.
What are the key properties of 3-bromo-4-fluoro-2-iodopyridine?
3-bromo-4-fluoro-2-iodopyridine has a molecular weight of 301.88 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-2-iodopyridine is sourced from PubChem (CID 130632617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).