5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride

C7H9BrClNO2 — CID 71758197

IUPAC5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride
SMILESCl.O=c1ccc(Br)cn1CCO
InChIInChI=1S/C7H8BrNO2.ClH/c8-6-1-2-7(11)9(5-6)3-4-10;/h1-2,5,10H,3-4H2;1H
InChIKeyOJQSZOSBMPMQST-UHFFFAOYSA-N
MW254.51 g/mol
LogP1.02
Rot. Bonds2

About 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride

5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride (PubChem CID 71758197) has the molecular formula C7H9BrClNO2 and a molecular weight of 254.51 g/mol. Its IUPAC name is 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride
PubChem CID71758197
Molecular FormulaC7H9BrClNO2
Molecular Weight254.51 g/mol
Exact Mass252.95
IUPAC Name5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride
SMILESCl.O=c1ccc(Br)cn1CCO
InChIInChI=1S/C7H8BrNO2.ClH/c8-6-1-2-7(11)9(5-6)3-4-10;/h1-2,5,10H,3-4H2;1H
InChIKeyOJQSZOSBMPMQST-UHFFFAOYSA-N
XLogP1.02
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.51
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-1,2-dihydropyridin-2-one
CID 253137
4-Bromo-1-(2-hydroxyethyl)-1,2-dihydropyridin-2-one
CID 68738532
5-bromo-1-(2-methoxyethyl)pyridin-2(1H)-one
CID 60698676
5-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
CID 43419433
5-Fluoro-1-(2-hydroxyethyl)pyridin-2-one
CID 82147123
6-Chloro-1-(2-hydroxyethyl)pyridin-2-one
CID 23322310
5-bromo-1-(3-hydroxypropyl)pyridin-2(1H)-one
CID 43509751
5-Chloro-1-(2-hydroxyethyl)pyridin-2-one
CID 54024427
5-Bromo-1-(1-hydroxypropan-2-yl)pyridin-2(1H)-one
CID 58070342
5-Bromo-1-(2-hydroxypropyl)pyridin-2-one
CID 60884691
5-Bromo-1-(2-hydroxyethyl)-3-methylpyridin-2-one
CID 79015024
3-Bromo-1-(2-hydroxyethyl)pyridin-2-one
CID 82147122

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride?
The IUPAC name of 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride (CID 71758197) is 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride is Cl.O=c1ccc(Br)cn1CCO.
What is the InChIKey of 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride?
The InChIKey is OJQSZOSBMPMQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2.ClH/c8-6-1-2-7(11)9(5-6)3-4-10;/h1-2,5,10H,3-4H2;1H.
What are the key properties of 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride?
5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride has a molecular weight of 254.51 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-hydroxyethyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 71758197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).