Pyridine, 2-(1,1-difluoro-2-iodoethyl)-5-methyl-

HCID 57722708

Notes Reactions

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Basic information

CAS: 780769-40-6
Standard SMILES: Cc1ccc(C(F)(F)CI)nc1
InChIKey: WDNHSMRLGNDYHM-UHFFFAOYSA-N
Molecular formula: C8H8F2IN
Average molar mass: 283.06 g/mol
Monoisotopic mass: 282.9669537

Names & identifiers

Preferred name: Pyridine, 2-(1,1-difluoro-2-iodoethyl)-5-methyl-
IUPAC: 2-(1,1-difluoro-2-iodoethyl)-5-methylpyridine

Names & synonyms

Pyridine, 2-(1,1-difluoro-2-iodoethyl)-5-methyl-780769-40-6SCHEMBL3899622DTXSID4012525912-(1,1-difluoro-2-iodoethyl)-5-methylpyridine2-(1,1-Difluoro-2-iodo-ethyl)-5-methyl-pyridine

Database identifiers

CAS: 780769-40-6
PubChem CID: 57722708
DTXSID: DTXSID401252591

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 152

Related reactions

3 records

New reaction record

HRID 1987047As productuspto-grants-2009_06

HRID 1987048As reactantuspto-grants-2009_06

HRID 2156174As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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