5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide

C13H12BrF2N3O3 — CID 159475760

IUPAC5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide
SMILESCCc1cn(-c2ncc(Br)cc2OC(F)F)c(C)n1.O=C=O
InChIInChI=1S/C12H12BrF2N3O.CO2/c1-3-9-6-18(7(2)17-9)11-10(19-12(14)15)4-8(13)5-16-11;2-1-3/h4-6,12H,3H2,1-2H3;
InChIKeyLWJAFVVFYDYWBJ-UHFFFAOYSA-N
MW376.16 g/mol
LogP2.92
Rot. Bonds4

About 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide

5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide (PubChem CID 159475760) has the molecular formula C13H12BrF2N3O3 and a molecular weight of 376.16 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide.

Molecular Properties

Compound Name5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide
PubChem CID159475760
Molecular FormulaC13H12BrF2N3O3
Molecular Weight376.16 g/mol
Exact Mass375.00
IUPAC Name5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide
SMILESCCc1cn(-c2ncc(Br)cc2OC(F)F)c(C)n1.O=C=O
InChIInChI=1S/C12H12BrF2N3O.CO2/c1-3-9-6-18(7(2)17-9)11-10(19-12(14)15)4-8(13)5-16-11;2-1-3/h4-6,12H,3H2,1-2H3;
InChIKeyLWJAFVVFYDYWBJ-UHFFFAOYSA-N
XLogP2.92
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide?
The IUPAC name of 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide (CID 159475760) is 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide.
What is the SMILES notation for 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide?
The canonical SMILES for 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide is CCc1cn(-c2ncc(Br)cc2OC(F)F)c(C)n1.O=C=O.
What is the InChIKey of 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide?
The InChIKey is LWJAFVVFYDYWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N3O.CO2/c1-3-9-6-18(7(2)17-9)11-10(19-12(14)15)4-8(13)5-16-11;2-1-3/h4-6,12H,3H2,1-2H3;.
What are the key properties of 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide?
5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide has a molecular weight of 376.16 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethoxy)-2-(4-ethyl-2-methylimidazol-1-yl)pyridine;carbon dioxide is sourced from PubChem (CID 159475760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).