2-(chloromethyl)-3-fluoro-5-iodopyridine

C6H4ClFIN — CID 131115815

IUPAC2-(chloromethyl)-3-fluoro-5-iodopyridine
SMILESFc1cc(I)cnc1CCl
InChIInChI=1S/C6H4ClFIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2
InChIKeyJEXSGNAZVZBLDR-UHFFFAOYSA-N
MW271.46 g/mol
LogP2.56
Rot. Bonds1

About 2-(chloromethyl)-3-fluoro-5-iodopyridine

2-(chloromethyl)-3-fluoro-5-iodopyridine (PubChem CID 131115815) has the molecular formula C6H4ClFIN and a molecular weight of 271.46 g/mol. Its IUPAC name is 2-(chloromethyl)-3-fluoro-5-iodopyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-fluoro-5-iodopyridine
PubChem CID131115815
Molecular FormulaC6H4ClFIN
Molecular Weight271.46 g/mol
Exact Mass270.91
IUPAC Name2-(chloromethyl)-3-fluoro-5-iodopyridine
SMILESFc1cc(I)cnc1CCl
InChIInChI=1S/C6H4ClFIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2
InChIKeyJEXSGNAZVZBLDR-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.46
LogP ≤ 52.56
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

2-(bromomethyl)-3-fluoro-5-iodopyridine
CID 131051007
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
2-(bromomethyl)-3-chloro-5-iodopyridine
CID 133061012
(3,5-diiodo-2-pyridinyl)methanol
CID 133054700
2-(bromomethyl)-5-iodopyridin-3-amine
CID 133057818
1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
CID 133060048
3-fluoro-5-iodo-2-phenylpyridine
CID 46314835
2-(2,5-dichlorophenyl)-3-fluoro-5-iodopyridine
CID 118813724
2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene
CID 171003596
1-chloro-2-(chloromethyl)-3-fluoro-5-iodobenzene
CID 171003995
2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119
2-(chloromethyl)-3-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118826938

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-fluoro-5-iodopyridine?
The IUPAC name of 2-(chloromethyl)-3-fluoro-5-iodopyridine (CID 131115815) is 2-(chloromethyl)-3-fluoro-5-iodopyridine.
What is the SMILES notation for 2-(chloromethyl)-3-fluoro-5-iodopyridine?
The canonical SMILES for 2-(chloromethyl)-3-fluoro-5-iodopyridine is Fc1cc(I)cnc1CCl.
What is the InChIKey of 2-(chloromethyl)-3-fluoro-5-iodopyridine?
The InChIKey is JEXSGNAZVZBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2.
What are the key properties of 2-(chloromethyl)-3-fluoro-5-iodopyridine?
2-(chloromethyl)-3-fluoro-5-iodopyridine has a molecular weight of 271.46 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-fluoro-5-iodopyridine is sourced from PubChem (CID 131115815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).