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

C8H6BrF2NO2 — CID 130095241

IUPACmethyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Br)nc(C(F)F)c1
InChIInChI=1S/C8H6BrF2NO2/c1-14-8(13)4-2-5(7(10)11)12-6(9)3-4/h2-3,7H,1H3
InChIKeyBBMGZEJIEVMUKP-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.57
Rot. Bonds2

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

methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate (PubChem CID 130095241) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate
PubChem CID130095241
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Namemethyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Br)nc(C(F)F)c1
InChIInChI=1S/C8H6BrF2NO2/c1-14-8(13)4-2-5(7(10)11)12-6(9)3-4/h2-3,7H,1H3
InChIKeyBBMGZEJIEVMUKP-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
CID 134670391
methyl 4-bromo-6-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 130069478
methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109771
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
methyl 2-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
CID 130070389
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate
CID 146458630
methyl 4-(bromomethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130084975
methyl 4-(aminomethyl)-6-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 134675417
methyl 4-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134686496

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate (CID 130095241) is methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate is COC(=O)c1cc(Br)nc(C(F)F)c1.
What is the InChIKey of methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate?
The InChIKey is BBMGZEJIEVMUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c1-14-8(13)4-2-5(7(10)11)12-6(9)3-4/h2-3,7H,1H3.
What are the key properties of methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate?
methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate has a molecular weight of 266.04 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 130095241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).