methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate

C8H5Br2F2NO2 — CID 134676395

IUPACmethyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)cc(Br)nc1Br
InChIInChI=1S/C8H5Br2F2NO2/c1-15-8(14)5-3(7(11)12)2-4(9)13-6(5)10/h2,7H,1H3
InChIKeyRICNFAUNGGCVKK-UHFFFAOYSA-N
MW344.94 g/mol
LogP3.33
Rot. Bonds2

About methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate

methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134676395) has the molecular formula C8H5Br2F2NO2 and a molecular weight of 344.94 g/mol. Its IUPAC name is methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134676395
Molecular FormulaC8H5Br2F2NO2
Molecular Weight344.94 g/mol
Exact Mass342.87
IUPAC Namemethyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)cc(Br)nc1Br
InChIInChI=1S/C8H5Br2F2NO2/c1-15-8(14)5-3(7(11)12)2-4(9)13-6(5)10/h2,7H,1H3
InChIKeyRICNFAUNGGCVKK-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.94
LogP ≤ 53.33
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 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765
methyl 4-(aminomethyl)-6-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 134675417
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130081987
methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate
CID 130095241
methyl 6-bromo-2-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 130070404
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119014355
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
CID 118999240
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate (CID 134676395) is methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(C(F)F)cc(Br)nc1Br.
What is the InChIKey of methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is RICNFAUNGGCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F2NO2/c1-15-8(14)5-3(7(11)12)2-4(9)13-6(5)10/h2,7H,1H3.
What are the key properties of methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate?
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 344.94 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134676395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).