2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol

C8H12BrNO — CID 177154546

IUPAC2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC(C)(O)C1C=CC(Br)=CN1
InChIInChI=1S/C8H12BrNO/c1-8(2,11)7-4-3-6(9)5-10-7/h3-5,7,10-11H,1-2H3
InChIKeyGKAUHYMQVNFSHL-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.52
Rot. Bonds1

About 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol

2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol (PubChem CID 177154546) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol
PubChem CID177154546
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC(C)(O)C1C=CC(Br)=CN1
InChIInChI=1S/C8H12BrNO/c1-8(2,11)7-4-3-6(9)5-10-7/h3-5,7,10-11H,1-2H3
InChIKeyGKAUHYMQVNFSHL-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

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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-(6-Bromo-1,2-dihydropyridin-2-yl)propan-2-ol
CID 143930436
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
CID 171556444
CID 171556444
2-(4,5-Dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane
CID 171556528
2-(1,2,3,6-Tetrahydropyridin-6-yl)propan-2-ol
CID 55286795
5-Bromo-2-methyl-1,2-dihydropyridin-3-ol
CID 86340987
2-(4,5-Dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 171556529

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
The IUPAC name of 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol (CID 177154546) is 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol is CC(C)(O)C1C=CC(Br)=CN1.
What is the InChIKey of 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
The InChIKey is GKAUHYMQVNFSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-8(2,11)7-4-3-6(9)5-10-7/h3-5,7,10-11H,1-2H3.
What are the key properties of 2-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol?
2-(5-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-(5-bromo-1,2-dihydropyridin-2-yl)propan-2-ol is sourced from PubChem (CID 177154546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).