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

C8H7Br2F2N — CID 130069181

IUPAC6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
SMILESCc1cc(Br)nc(CBr)c1C(F)F
InChIInChI=1S/C8H7Br2F2N/c1-4-2-6(10)13-5(3-9)7(4)8(11)12/h2,8H,3H2,1H3
InChIKeyXELSFECXAZWLFO-UHFFFAOYSA-N
MW314.96 g/mol
LogP3.99
Rot. Bonds2

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

6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine (PubChem CID 130069181) has the molecular formula C8H7Br2F2N and a molecular weight of 314.96 g/mol. Its IUPAC name is 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine.

Molecular Properties

Compound Name6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
PubChem CID130069181
Molecular FormulaC8H7Br2F2N
Molecular Weight314.96 g/mol
Exact Mass312.89
IUPAC Name6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
SMILESCc1cc(Br)nc(CBr)c1C(F)F
InChIInChI=1S/C8H7Br2F2N/c1-4-2-6(10)13-5(3-9)7(4)8(11)12/h2,8H,3H2,1H3
InChIKeyXELSFECXAZWLFO-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.96
LogP ≤ 53.99
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'}

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Related Compounds

6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
2-[6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070222
6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
CID 130069265
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonyl chloride
CID 130069589
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
CID 130087789
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
CID 130068259
6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
CID 130087803
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine?
The IUPAC name of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine (CID 130069181) is 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine.
What is the SMILES notation for 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine?
The canonical SMILES for 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine is Cc1cc(Br)nc(CBr)c1C(F)F.
What is the InChIKey of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine?
The InChIKey is XELSFECXAZWLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F2N/c1-4-2-6(10)13-5(3-9)7(4)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine?
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine has a molecular weight of 314.96 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine is sourced from PubChem (CID 130069181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).