5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine

C8H7BrF2IN — CID 130086035

IUPAC5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
SMILESCc1c(C(F)F)ncc(CBr)c1I
InChIInChI=1S/C8H7BrF2IN/c1-4-6(12)5(2-9)3-13-7(4)8(10)11/h3,8H,2H2,1H3
InChIKeyOKERWXKKJZVAFQ-UHFFFAOYSA-N
MW361.96 g/mol
LogP3.83
Rot. Bonds2

About 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine

5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine (PubChem CID 130086035) has the molecular formula C8H7BrF2IN and a molecular weight of 361.96 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
PubChem CID130086035
Molecular FormulaC8H7BrF2IN
Molecular Weight361.96 g/mol
Exact Mass360.88
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
SMILESCc1c(C(F)F)ncc(CBr)c1I
InChIInChI=1S/C8H7BrF2IN/c1-4-6(12)5(2-9)3-13-7(4)8(10)11/h3,8H,2H2,1H3
InChIKeyOKERWXKKJZVAFQ-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.96
LogP ≤ 53.83
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

5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
CID 130101296
4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090297
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
2-[5-(bromomethyl)-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090266
2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
CID 130101179
2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
CID 130079888
[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine
CID 130080922
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 133100568
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
CID 130086264
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine (CID 130086035) is 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine is Cc1c(C(F)F)ncc(CBr)c1I.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine?
The InChIKey is OKERWXKKJZVAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2IN/c1-4-6(12)5(2-9)3-13-7(4)8(10)11/h3,8H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine?
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine has a molecular weight of 361.96 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine is sourced from PubChem (CID 130086035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).