(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol

C14H12BrNO — CID 6446010

IUPAC(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol
SMILESOC(/C=C/c1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10,14,17H/b8-3+
InChIKeyRRLRTJMPJSMFHQ-FPYGCLRLSA-N
MW290.16 g/mol
LogP3.59
Rot. Bonds3

About (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol

(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol (PubChem CID 6446010) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol
PubChem CID6446010
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol
SMILESOC(/C=C/c1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10,14,17H/b8-3+
InChIKeyRRLRTJMPJSMFHQ-FPYGCLRLSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol?
The IUPAC name of (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol (CID 6446010) is (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol?
The canonical SMILES for (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol is OC(/C=C/c1cccnc1)c1ccc(Br)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol?
The InChIKey is RRLRTJMPJSMFHQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10,14,17H/b8-3+.
What are the key properties of (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol?
(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol has a molecular weight of 290.16 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 6446010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).