5-(3-bromoprop-1-enyl)pyridin-3-ol

C8H8BrNO — CID 169475014

IUPAC5-(3-bromoprop-1-enyl)pyridin-3-ol
SMILESOc1cncc(C=CCBr)c1
InChIInChI=1S/C8H8BrNO/c9-3-1-2-7-4-8(11)6-10-5-7/h1-2,4-6,11H,3H2
InChIKeyIWMPRJLZCGPADR-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.20
Rot. Bonds2

About 5-(3-bromoprop-1-enyl)pyridin-3-ol

5-(3-bromoprop-1-enyl)pyridin-3-ol (PubChem CID 169475014) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 5-(3-bromoprop-1-enyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(3-bromoprop-1-enyl)pyridin-3-ol
PubChem CID169475014
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name5-(3-bromoprop-1-enyl)pyridin-3-ol
SMILESOc1cncc(C=CCBr)c1
InChIInChI=1S/C8H8BrNO/c9-3-1-2-7-4-8(11)6-10-5-7/h1-2,4-6,11H,3H2
InChIKeyIWMPRJLZCGPADR-UHFFFAOYSA-N
XLogP2.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxypyridine
CID 7971
2-Bromo-3-pyridinol
CID 23070
2-Methyl-5-hydroxypyridine
CID 14275
3-Pyridinol, 5-benzyl-
CID 796726
2-Methylpyridin-3-ol
CID 70719
1-Ethyl-3-hydroxypyridinium bromide
CID 198590
3-Hydroxy-5-methylpyridine
CID 224753
Pyridinium, 3-hydroxy-1-methyl-, iodide (1:1)
CID 202109
2-Phenyl-3-pyridinol
CID 18705
Pyridin-3-ol 1-oxide
CID 23069
2-Iodopyridin-3-ol
CID 97179
2-Bromo-5-hydroxypyridine
CID 2762865

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoprop-1-enyl)pyridin-3-ol?
The IUPAC name of 5-(3-bromoprop-1-enyl)pyridin-3-ol (CID 169475014) is 5-(3-bromoprop-1-enyl)pyridin-3-ol.
What is the SMILES notation for 5-(3-bromoprop-1-enyl)pyridin-3-ol?
The canonical SMILES for 5-(3-bromoprop-1-enyl)pyridin-3-ol is Oc1cncc(C=CCBr)c1.
What is the InChIKey of 5-(3-bromoprop-1-enyl)pyridin-3-ol?
The InChIKey is IWMPRJLZCGPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-3-1-2-7-4-8(11)6-10-5-7/h1-2,4-6,11H,3H2.
What are the key properties of 5-(3-bromoprop-1-enyl)pyridin-3-ol?
5-(3-bromoprop-1-enyl)pyridin-3-ol has a molecular weight of 214.06 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoprop-1-enyl)pyridin-3-ol is sourced from PubChem (CID 169475014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).