1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol

C14H15Br2NO3 — CID 65150589

IUPAC1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cc(Br)c(Br)o2)c1C
InChIInChI=1S/C14H15Br2NO3/c1-7-6-17-10(8(2)13(7)19-3)5-11(18)12-4-9(15)14(16)20-12/h4,6,11,18H,5H2,1-3H3
InChIKeyOBZQQROBVXBGKA-UHFFFAOYSA-N
MW405.09 g/mol
LogP4.10
Rot. Bonds4

About 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol

1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (PubChem CID 65150589) has the molecular formula C14H15Br2NO3 and a molecular weight of 405.09 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
PubChem CID65150589
Molecular FormulaC14H15Br2NO3
Molecular Weight405.09 g/mol
Exact Mass402.94
IUPAC Name1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cc(Br)c(Br)o2)c1C
InChIInChI=1S/C14H15Br2NO3/c1-7-6-17-10(8(2)13(7)19-3)5-11(18)12-4-9(15)14(16)20-12/h4,6,11,18H,5H2,1-3H3
InChIKeyOBZQQROBVXBGKA-UHFFFAOYSA-N
XLogP4.10
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol (CID 65150589) is 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is COc1c(C)cnc(CC(O)c2cc(Br)c(Br)o2)c1C.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
The InChIKey is OBZQQROBVXBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO3/c1-7-6-17-10(8(2)13(7)19-3)5-11(18)12-4-9(15)14(16)20-12/h4,6,11,18H,5H2,1-3H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol?
1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol has a molecular weight of 405.09 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 65150589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).