2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine

C8H7Br2F2N — CID 118995667

IUPAC2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
SMILESCc1cc(CBr)c(C(F)F)nc1Br
InChIInChI=1S/C8H7Br2F2N/c1-4-2-5(3-9)6(8(11)12)13-7(4)10/h2,8H,3H2,1H3
InChIKeyWLDIDQCKWLKYGU-UHFFFAOYSA-N
MW314.96 g/mol
LogP3.99
Rot. Bonds2

About 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine

2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine (PubChem CID 118995667) has the molecular formula C8H7Br2F2N and a molecular weight of 314.96 g/mol. Its IUPAC name is 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine.

Molecular Properties

Compound Name2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
PubChem CID118995667
Molecular FormulaC8H7Br2F2N
Molecular Weight314.96 g/mol
Exact Mass312.89
IUPAC Name2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
SMILESCc1cc(CBr)c(C(F)F)nc1Br
InChIInChI=1S/C8H7Br2F2N/c1-4-2-5(3-9)6(8(11)12)13-7(4)10/h2,8H,3H2,1H3
InChIKeyWLDIDQCKWLKYGU-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-(difluoromethyl)-5-methylpyridin-3-ol
CID 119007846
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
CID 130068256
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
6-bromo-4-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130108046
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
6-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 118991988
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine?
The IUPAC name of 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine (CID 118995667) is 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine.
What is the SMILES notation for 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine?
The canonical SMILES for 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine is Cc1cc(CBr)c(C(F)F)nc1Br.
What is the InChIKey of 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine?
The InChIKey is WLDIDQCKWLKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F2N/c1-4-2-5(3-9)6(8(11)12)13-7(4)10/h2,8H,3H2,1H3.
What are the key properties of 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine?
2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-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 2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine is sourced from PubChem (CID 118995667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).