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

C7H5BrF2IN — CID 119006944

IUPAC2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
SMILESCc1cc(I)nc(Br)c1C(F)F
InChIInChI=1S/C7H5BrF2IN/c1-3-2-4(11)12-6(8)5(3)7(9)10/h2,7H,1H3
InChIKeyNKQMOSKGHUCWOU-UHFFFAOYSA-N
MW347.93 g/mol
LogP3.69
Rot. Bonds1

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

2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine (PubChem CID 119006944) has the molecular formula C7H5BrF2IN and a molecular weight of 347.93 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
PubChem CID119006944
Molecular FormulaC7H5BrF2IN
Molecular Weight347.93 g/mol
Exact Mass346.86
IUPAC Name2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
SMILESCc1cc(I)nc(Br)c1C(F)F
InChIInChI=1S/C7H5BrF2IN/c1-3-2-4(11)12-6(8)5(3)7(9)10/h2,7H,1H3
InChIKeyNKQMOSKGHUCWOU-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086190
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
2-bromo-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine
CID 119006523
ethyl 2-[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]acetate
CID 133101760
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
CID 130085953
6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
CID 130069265
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
CID 130068259
2-bromo-6-fluoro-4-methyl-3-propan-2-ylpyridine
CID 153298254
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
CID 130069219

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine?
The IUPAC name of 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine (CID 119006944) is 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine is Cc1cc(I)nc(Br)c1C(F)F.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine?
The InChIKey is NKQMOSKGHUCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2IN/c1-3-2-4(11)12-6(8)5(3)7(9)10/h2,7H,1H3.
What are the key properties of 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine?
2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine has a molecular weight of 347.93 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine is sourced from PubChem (CID 119006944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).