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

C7H6BrF2N — CID 130095038

IUPAC2-bromo-4-(difluoromethyl)-5-methylpyridine
SMILESCc1cnc(Br)cc1C(F)F
InChIInChI=1S/C7H6BrF2N/c1-4-3-11-6(8)2-5(4)7(9)10/h2-3,7H,1H3
InChIKeyCMGFITMFECXHRO-UHFFFAOYSA-N
MW222.03 g/mol
LogP3.09
Rot. Bonds1

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

2-bromo-4-(difluoromethyl)-5-methylpyridine (PubChem CID 130095038) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-5-methylpyridine.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-5-methylpyridine
PubChem CID130095038
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name2-bromo-4-(difluoromethyl)-5-methylpyridine
SMILESCc1cnc(Br)cc1C(F)F
InChIInChI=1S/C7H6BrF2N/c1-4-3-11-6(8)2-5(4)7(9)10/h2-3,7H,1H3
InChIKeyCMGFITMFECXHRO-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
2,4-dibromo-5-methylpyridine
CID 12643719
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
CID 130097596
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
CID 118852266
2,5-dibromo-4-propan-2-ylpyridine
CID 122715591
2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine
CID 151033657
2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324707
5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419804
(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine
CID 124501686
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-5-methylpyridine?
The IUPAC name of 2-bromo-4-(difluoromethyl)-5-methylpyridine (CID 130095038) is 2-bromo-4-(difluoromethyl)-5-methylpyridine.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-5-methylpyridine?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-5-methylpyridine is Cc1cnc(Br)cc1C(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-5-methylpyridine?
The InChIKey is CMGFITMFECXHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-4-3-11-6(8)2-5(4)7(9)10/h2-3,7H,1H3.
What are the key properties of 2-bromo-4-(difluoromethyl)-5-methylpyridine?
2-bromo-4-(difluoromethyl)-5-methylpyridine has a molecular weight of 222.03 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-5-methylpyridine is sourced from PubChem (CID 130095038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).