3-(5-bromo-2-pyridinyl)-2-hydroxypropanal

C8H8BrNO2 — CID 104802202

IUPAC3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
SMILESO=CC(O)Cc1ccc(Br)cn1
InChIInChI=1S/C8H8BrNO2/c9-6-1-2-7(10-4-6)3-8(12)5-11/h1-2,4-5,8,12H,3H2
InChIKeyKXDVHXHKVWXQFR-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.95
Rot. Bonds3

About 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal

3-(5-bromo-2-pyridinyl)-2-hydroxypropanal (PubChem CID 104802202) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
PubChem CID104802202
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
SMILESO=CC(O)Cc1ccc(Br)cn1
InChIInChI=1S/C8H8BrNO2/c9-6-1-2-7(10-4-6)3-8(12)5-11/h1-2,4-5,8,12H,3H2
InChIKeyKXDVHXHKVWXQFR-UHFFFAOYSA-N
XLogP0.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
(5-bromo-2-pyridinyl)methylboronic acid
CID 104811315
2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
CID 104800459
2-(5-bromo-2-pyridinyl)-1-(furan-2-yl)ethanol
CID 104800026
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
CID 115833185

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal (CID 104802202) is 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal is O=CC(O)Cc1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal?
The InChIKey is KXDVHXHKVWXQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-6-1-2-7(10-4-6)3-8(12)5-11/h1-2,4-5,8,12H,3H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal?
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal has a molecular weight of 230.06 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-hydroxypropanal is sourced from PubChem (CID 104802202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).