2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol

C8H12BrNO — CID 143930436

IUPAC2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC(C)(O)C1C=CC=C(Br)N1
InChIInChI=1S/C8H12BrNO/c1-8(2,11)6-4-3-5-7(9)10-6/h3-6,10-11H,1-2H3
InChIKeyZPHAAMLNJYFPKA-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.52
Rot. Bonds1

About 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol

2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol (PubChem CID 143930436) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol
PubChem CID143930436
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC(C)(O)C1C=CC=C(Br)N1
InChIInChI=1S/C8H12BrNO/c1-8(2,11)6-4-3-5-7(9)10-6/h3-6,10-11H,1-2H3
InChIKeyZPHAAMLNJYFPKA-UHFFFAOYSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-1-oxido-1H-pyridin-1-ium-2-yl)propan-2-ol
CID 88027163
2-(6-Methyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 90247451
2-(1,2-Dihydropyridin-2-yl)propan-2-ol
CID 148824024
2-(4-Ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155201098
Ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155709660
2-(4,5-Dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane
CID 171556528
4-Amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
CID 174461428
2-(5-Bromo-1,2-dihydropyridin-2-yl)propan-2-ol
CID 177154546
2-(1,2,3,6-Tetrahydropyridin-6-yl)propan-2-ol
CID 55286795
6-Bromo-2-methyl-1,2-dihydropyridin-3-ol
CID 86341132
2-(2-Methyl-1,2,3,6-tetrahydropyridin-6-yl)propan-2-ol
CID 129930400
1-(3-Methyl-1,2-dihydropyridin-2-yl)ethenol
CID 168202571

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
The IUPAC name of 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol (CID 143930436) is 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
The canonical SMILES for 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol is CC(C)(O)C1C=CC=C(Br)N1.
What is the InChIKey of 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
The InChIKey is ZPHAAMLNJYFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-8(2,11)6-4-3-5-7(9)10-6/h3-6,10-11H,1-2H3.
What are the key properties of 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol has a molecular weight of 218.09 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,2-dihydropyridin-2-yl)propan-2-ol is sourced from PubChem (CID 143930436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).