methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate

C9H8BrF2NO2 — CID 134670391

IUPACmethyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(CBr)nc(C(F)F)c1
InChIInChI=1S/C9H8BrF2NO2/c1-15-9(14)5-2-6(4-10)13-7(3-5)8(11)12/h2-3,8H,4H2,1H3
InChIKeyRPVMGVDYLOFTMI-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.70
Rot. Bonds3

About methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate

methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate (PubChem CID 134670391) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
PubChem CID134670391
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Namemethyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(CBr)nc(C(F)F)c1
InChIInChI=1S/C9H8BrF2NO2/c1-15-9(14)5-2-6(4-10)13-7(3-5)8(11)12/h2-3,8H,4H2,1H3
InChIKeyRPVMGVDYLOFTMI-UHFFFAOYSA-N
XLogP2.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2,6-bis(bromomethyl)pyridine-4-carboxylate
CID 23545489
methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate
CID 130095241
methyl 2-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
CID 130070389
methyl 4-(bromomethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130084975
2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118855110
ethyl 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134673251
2-(bromomethyl)-6-(difluoromethyl)-4-fluoropyridine
CID 130096314
methyl 6-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676098
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130081987
methyl 4-bromo-6-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 130069478
methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109771
methyl 2-(bromomethyl)quinoline-7-carboxylate
CID 168980645

Frequently Asked Questions

What is the IUPAC name of methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate (CID 134670391) is methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate is COC(=O)c1cc(CBr)nc(C(F)F)c1.
What is the InChIKey of methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate?
The InChIKey is RPVMGVDYLOFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-15-9(14)5-2-6(4-10)13-7(3-5)8(11)12/h2-3,8H,4H2,1H3.
What are the key properties of methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate?
methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate has a molecular weight of 280.07 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134670391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).