4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine

C12H14BrNO — CID 166484057

IUPAC4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine
SMILESC=C(OC)c1cnc(C)cc1/C(Br)=C\C
InChIInChI=1S/C12H14BrNO/c1-5-12(13)10-6-8(2)14-7-11(10)9(3)15-4/h5-7H,3H2,1-2,4H3/b12-5+
InChIKeyIJSFQOQIYQSOJI-LFYBBSHMSA-N
MW268.15 g/mol
LogP3.76
Rot. Bonds3

About 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine

4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine (PubChem CID 166484057) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine.

Molecular Properties

Compound Name4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine
PubChem CID166484057
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine
SMILESC=C(OC)c1cnc(C)cc1/C(Br)=C\C
InChIInChI=1S/C12H14BrNO/c1-5-12(13)10-6-8(2)14-7-11(10)9(3)15-4/h5-7H,3H2,1-2,4H3/b12-5+
InChIKeyIJSFQOQIYQSOJI-LFYBBSHMSA-N
XLogP3.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine?
The IUPAC name of 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine (CID 166484057) is 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine.
What is the SMILES notation for 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine?
The canonical SMILES for 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine is C=C(OC)c1cnc(C)cc1/C(Br)=C\C.
What is the InChIKey of 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine?
The InChIKey is IJSFQOQIYQSOJI-LFYBBSHMSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-5-12(13)10-6-8(2)14-7-11(10)9(3)15-4/h5-7H,3H2,1-2,4H3/b12-5+.
What are the key properties of 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine?
4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine has a molecular weight of 268.15 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine is sourced from PubChem (CID 166484057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).