methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate

C11H12BrNO2 — CID 142133740

IUPACmethyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate
SMILESCOC(=O)CC/C=C/c1ccc(Br)cn1
InChIInChI=1S/C11H12BrNO2/c1-15-11(14)5-3-2-4-10-7-6-9(12)8-13-10/h2,4,6-8H,3,5H2,1H3/b4-2+
InChIKeyHNUHMIMFEHTINL-DUXPYHPUSA-N
MW270.13 g/mol
LogP2.81
Rot. Bonds4

About methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate

methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate (PubChem CID 142133740) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate
PubChem CID142133740
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Namemethyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate
SMILESCOC(=O)CC/C=C/c1ccc(Br)cn1
InChIInChI=1S/C11H12BrNO2/c1-15-11(14)5-3-2-4-10-7-6-9(12)8-13-10/h2,4,6-8H,3,5H2,1H3/b4-2+
InChIKeyHNUHMIMFEHTINL-DUXPYHPUSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate?
The IUPAC name of methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate (CID 142133740) is methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate.
What is the SMILES notation for methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate?
The canonical SMILES for methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate is COC(=O)CC/C=C/c1ccc(Br)cn1.
What is the InChIKey of methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate?
The InChIKey is HNUHMIMFEHTINL-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-11(14)5-3-2-4-10-7-6-9(12)8-13-10/h2,4,6-8H,3,5H2,1H3/b4-2+.
What are the key properties of methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate?
methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate has a molecular weight of 270.13 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate is sourced from PubChem (CID 142133740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).