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

C7H5BrF2IN — CID 118998609

IUPAC2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
SMILESCc1c(Br)ncc(C(F)F)c1I
InChIInChI=1S/C7H5BrF2IN/c1-3-5(11)4(7(9)10)2-12-6(3)8/h2,7H,1H3
InChIKeyHLYHGJLEPJDQQQ-UHFFFAOYSA-N
MW347.93 g/mol
LogP3.69
Rot. Bonds1

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

2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine (PubChem CID 118998609) has the molecular formula C7H5BrF2IN and a molecular weight of 347.93 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
PubChem CID118998609
Molecular FormulaC7H5BrF2IN
Molecular Weight347.93 g/mol
Exact Mass346.86
IUPAC Name2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
SMILESCc1c(Br)ncc(C(F)F)c1I
InChIInChI=1S/C7H5BrF2IN/c1-3-5(11)4(7(9)10)2-12-6(3)8/h2,7H,1H3
InChIKeyHLYHGJLEPJDQQQ-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-5-(difluoromethyl)-4-fluoro-3-methylpyridine
CID 130109380
5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
CID 130079918
4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
CID 118806090
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
methyl 2-[2-bromo-5-(difluoromethyl)-4-iodo-3-pyridinyl]acetate
CID 134685063
2-bromo-5-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069537
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
2-bromo-4-fluoro-3-methyl-5-propan-2-ylpyridine
CID 170074400
2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
CID 130101179
2-bromo-4-(difluoromethyl)-3-iodopyridine
CID 119013821
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine?
The IUPAC name of 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine (CID 118998609) is 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine is Cc1c(Br)ncc(C(F)F)c1I.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine?
The InChIKey is HLYHGJLEPJDQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2IN/c1-3-5(11)4(7(9)10)2-12-6(3)8/h2,7H,1H3.
What are the key properties of 2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine?
2-bromo-5-(difluoromethyl)-4-iodo-3-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-5-(difluoromethyl)-4-iodo-3-methylpyridine is sourced from PubChem (CID 118998609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).