4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide

C13H12BrNO2 — CID 173142705

IUPAC4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide
SMILESBr.Oc1ccc(C=Cc2ccncc2)cc1O
InChIInChI=1S/C13H11NO2.BrH/c15-12-4-3-11(9-13(12)16)2-1-10-5-7-14-8-6-10;/h1-9,15-16H;1H
InChIKeyMXEMKXLZNNLSBB-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.24
Rot. Bonds2

About 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide

4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide (PubChem CID 173142705) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide
PubChem CID173142705
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide
SMILESBr.Oc1ccc(C=Cc2ccncc2)cc1O
InChIInChI=1S/C13H11NO2.BrH/c15-12-4-3-11(9-13(12)16)2-1-10-5-7-14-8-6-10;/h1-9,15-16H;1H
InChIKeyMXEMKXLZNNLSBB-UHFFFAOYSA-N
XLogP3.24
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
2-methoxy-5-(2-pyridin-4-ylethenyl)phenol
CID 54474523
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
CID 143585008
4-[2-[4-[[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzene-1,2-diol
CID 136610654
4-chloro-2-[(E)-2-pyridin-4-ylethenyl]phenol
CID 150300017
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
5-[2-(4-hydroxy-3-pyridin-4-ylphenyl)ethenyl]benzene-1,3-diol
CID 169095439
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
CID 142469132

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide?
The IUPAC name of 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide (CID 173142705) is 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide.
What is the SMILES notation for 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide?
The canonical SMILES for 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide is Br.Oc1ccc(C=Cc2ccncc2)cc1O.
What is the InChIKey of 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide?
The InChIKey is MXEMKXLZNNLSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.BrH/c15-12-4-3-11(9-13(12)16)2-1-10-5-7-14-8-6-10;/h1-9,15-16H;1H.
What are the key properties of 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide?
4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide has a molecular weight of 294.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide is sourced from PubChem (CID 173142705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).