4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine

C8H7BrF2IN — CID 130086025

IUPAC4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
SMILESCc1c(CBr)cc(I)nc1C(F)F
InChIInChI=1S/C8H7BrF2IN/c1-4-5(3-9)2-6(12)13-7(4)8(10)11/h2,8H,3H2,1H3
InChIKeyUJXZBZFXWTVVQQ-UHFFFAOYSA-N
MW361.96 g/mol
LogP3.83
Rot. Bonds2

About 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine

4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine (PubChem CID 130086025) has the molecular formula C8H7BrF2IN and a molecular weight of 361.96 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
PubChem CID130086025
Molecular FormulaC8H7BrF2IN
Molecular Weight361.96 g/mol
Exact Mass360.88
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
SMILESCc1c(CBr)cc(I)nc1C(F)F
InChIInChI=1S/C8H7BrF2IN/c1-4-5(3-9)2-6(12)13-7(4)8(10)11/h2,8H,3H2,1H3
InChIKeyUJXZBZFXWTVVQQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
4-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 130087240
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
CID 130105324
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
methyl 2-[3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 133100621
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
CID 130074144

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine (CID 130086025) is 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine is Cc1c(CBr)cc(I)nc1C(F)F.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine?
The InChIKey is UJXZBZFXWTVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2IN/c1-4-5(3-9)2-6(12)13-7(4)8(10)11/h2,8H,3H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine?
4-(bromomethyl)-2-(difluoromethyl)-6-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 4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine is sourced from PubChem (CID 130086025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).