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

C8H7BrF3N — CID 130080978

IUPAC4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
SMILESCc1c(CBr)cc(F)nc1C(F)F
InChIInChI=1S/C8H7BrF3N/c1-4-5(3-9)2-6(10)13-7(4)8(11)12/h2,8H,3H2,1H3
InChIKeyZGFGXOCPWZGPGS-UHFFFAOYSA-N
MW254.05 g/mol
LogP3.36
Rot. Bonds2

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

4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine (PubChem CID 130080978) has the molecular formula C8H7BrF3N and a molecular weight of 254.05 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
PubChem CID130080978
Molecular FormulaC8H7BrF3N
Molecular Weight254.05 g/mol
Exact Mass252.97
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
SMILESCc1c(CBr)cc(F)nc1C(F)F
InChIInChI=1S/C8H7BrF3N/c1-4-5(3-9)2-6(10)13-7(4)8(11)12/h2,8H,3H2,1H3
InChIKeyZGFGXOCPWZGPGS-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 53.36
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

4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
CID 118851823
3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
CID 130099754
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
CID 130074144
[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862
2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
CID 118803582
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517
2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
CID 118995667

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine (CID 130080978) is 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine is Cc1c(CBr)cc(F)nc1C(F)F.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine?
The InChIKey is ZGFGXOCPWZGPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N/c1-4-5(3-9)2-6(10)13-7(4)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine?
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine has a molecular weight of 254.05 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine is sourced from PubChem (CID 130080978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).