2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide

C13H11Br2NO2 — CID 22282382

IUPAC2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
SMILESBr.O=C(c1ccc(O)cc1)C(Br)c1cccnc1
InChIInChI=1S/C13H10BrNO2.BrH/c14-12(10-2-1-7-15-8-10)13(17)9-3-5-11(16)6-4-9;/h1-8,12,16H;1H
InChIKeyHEDMRVRRAVKYDI-UHFFFAOYSA-N
MW373.04 g/mol
LogP3.68
Rot. Bonds3

About 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide

2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide (PubChem CID 22282382) has the molecular formula C13H11Br2NO2 and a molecular weight of 373.04 g/mol. Its IUPAC name is 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
PubChem CID22282382
Molecular FormulaC13H11Br2NO2
Molecular Weight373.04 g/mol
Exact Mass370.92
IUPAC Name2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
SMILESBr.O=C(c1ccc(O)cc1)C(Br)c1cccnc1
InChIInChI=1S/C13H10BrNO2.BrH/c14-12(10-2-1-7-15-8-10)13(17)9-3-5-11(16)6-4-9;/h1-8,12,16H;1H
InChIKeyHEDMRVRRAVKYDI-UHFFFAOYSA-N
XLogP3.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(4-methylphenyl)-2-pyridin-3-ylethanone
CID 22282292
2-bromo-1-(3-chlorophenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282365
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-bromo-1-(3-methoxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282260
methyl 3-bromo-2-oxo-3-pyridin-3-ylpropanoate
CID 23590816
tert-butyl 2-bromo-2-pyridin-3-ylacetate
CID 19746660
[2-(4-fluorophenyl)-2-oxo-1-pyridin-3-ylethyl]carbamic acid
CID 23110222
4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
CID 22496064
2-bromo-1-(3,4-dimethylphenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 22282327
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(4-hydroxyphenyl)acetamide
CID 75380343
methyl (2R)-2-bromo-3-oxo-3-pyridin-3-ylpropanoate
CID 124581778

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide?
The IUPAC name of 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide (CID 22282382) is 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide is Br.O=C(c1ccc(O)cc1)C(Br)c1cccnc1.
What is the InChIKey of 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide?
The InChIKey is HEDMRVRRAVKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2.BrH/c14-12(10-2-1-7-15-8-10)13(17)9-3-5-11(16)6-4-9;/h1-8,12,16H;1H.
What are the key properties of 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide?
2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide has a molecular weight of 373.04 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide is sourced from PubChem (CID 22282382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).