4-(bromomethyl)-3-fluoro-5-iodopyridine

C6H4BrFIN — CID 130881845

IUPAC4-(bromomethyl)-3-fluoro-5-iodopyridine
SMILESFc1cncc(I)c1CBr
InChIInChI=1S/C6H4BrFIN/c7-1-4-5(8)2-10-3-6(4)9/h2-3H,1H2
InChIKeyNFLBWXFBTCFKIX-UHFFFAOYSA-N
MW315.91 g/mol
LogP2.72
Rot. Bonds1

About 4-(bromomethyl)-3-fluoro-5-iodopyridine

4-(bromomethyl)-3-fluoro-5-iodopyridine (PubChem CID 130881845) has the molecular formula C6H4BrFIN and a molecular weight of 315.91 g/mol. Its IUPAC name is 4-(bromomethyl)-3-fluoro-5-iodopyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-fluoro-5-iodopyridine
PubChem CID130881845
Molecular FormulaC6H4BrFIN
Molecular Weight315.91 g/mol
Exact Mass314.86
IUPAC Name4-(bromomethyl)-3-fluoro-5-iodopyridine
SMILESFc1cncc(I)c1CBr
InChIInChI=1S/C6H4BrFIN/c7-1-4-5(8)2-10-3-6(4)9/h2-3H,1H2
InChIKeyNFLBWXFBTCFKIX-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-5-iodo-4-pyridinyl)methanol
CID 130781632
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329
methyl 2-(3-fluoro-5-iodo-4-pyridinyl)acetate
CID 130837858
4-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)pyridine
CID 130092126
2-(bromomethyl)-1,3-difluoro-5-iodobenzene
CID 131263559
1-bromo-2-(bromomethyl)-3-fluoro-4-iodobenzene
CID 131331874
3-(bromomethyl)-4-fluoro-2-iodopyridine
CID 130935790
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130096320
3-fluoro-5-iodo-4-phenylpyridine
CID 131220912
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
CID 130073145

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-fluoro-5-iodopyridine?
The IUPAC name of 4-(bromomethyl)-3-fluoro-5-iodopyridine (CID 130881845) is 4-(bromomethyl)-3-fluoro-5-iodopyridine.
What is the SMILES notation for 4-(bromomethyl)-3-fluoro-5-iodopyridine?
The canonical SMILES for 4-(bromomethyl)-3-fluoro-5-iodopyridine is Fc1cncc(I)c1CBr.
What is the InChIKey of 4-(bromomethyl)-3-fluoro-5-iodopyridine?
The InChIKey is NFLBWXFBTCFKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFIN/c7-1-4-5(8)2-10-3-6(4)9/h2-3H,1H2.
What are the key properties of 4-(bromomethyl)-3-fluoro-5-iodopyridine?
4-(bromomethyl)-3-fluoro-5-iodopyridine has a molecular weight of 315.91 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-fluoro-5-iodopyridine is sourced from PubChem (CID 130881845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).