2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine

C13H13Br3N2O — CID 158087677

IUPAC2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.CC(C)(O)c1cncc(Br)c1
InChIInChI=1S/C8H10BrNO.C5H3Br2N/c1-8(2,11)6-3-7(9)5-10-4-6;6-4-1-5(7)3-8-2-4/h3-5,11H,1-2H3;1-3H
InChIKeyFNSCQWFTCAINPP-UHFFFAOYSA-N
MW452.97 g/mol
LogP4.68
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine

2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine (PubChem CID 158087677) has the molecular formula C13H13Br3N2O and a molecular weight of 452.97 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine
PubChem CID158087677
Molecular FormulaC13H13Br3N2O
Molecular Weight452.97 g/mol
Exact Mass449.86
IUPAC Name2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.CC(C)(O)c1cncc(Br)c1
InChIInChI=1S/C8H10BrNO.C5H3Br2N/c1-8(2,11)6-3-7(9)5-10-4-6;6-4-1-5(7)3-8-2-4/h3-5,11H,1-2H3;1-3H
InChIKeyFNSCQWFTCAINPP-UHFFFAOYSA-N
XLogP4.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromophenyl)-3-(dimethylamino)-1-(pyridin-3-yl)propan-1-ol
CID 12914022
2-(Pyridin-3-yl)propan-2-ol
CID 10725403
(5-Bromo-3-pyridinyl)methanol
CID 2784733
1-(2-Bromopyridin-3-yl)cyclohexan-1-ol
CID 86276539
2-Bromo-3-(1-hydroxyethyl)pyridine
CID 10442821
2-(2-Bromopyridin-4-yl)propan-2-ol
CID 22391965
2-(6-Bromo-3-pyridyl)-2-propanol
CID 22391973
(5-Bromopyridin-3-yl)methanol hydrochloride
CID 23445112
1-(5-Bromopyridin-3-yl)-2,2,2-trifluoroethan-1-ol
CID 66797881
(5-Bromo-2-fluoropyridin-3-yl)methanol
CID 69084872
3-(5-Bromopyridin-3-yl)oxetan-3-ol
CID 75406685
1-(5-Bromopyridin-3-yl)cyclobutan-1-ol
CID 117667452

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine (CID 158087677) is 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine is Brc1cncc(Br)c1.CC(C)(O)c1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine?
The InChIKey is FNSCQWFTCAINPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.C5H3Br2N/c1-8(2,11)6-3-7(9)5-10-4-6;6-4-1-5(7)3-8-2-4/h3-5,11H,1-2H3;1-3H.
What are the key properties of 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine?
2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine has a molecular weight of 452.97 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)propan-2-ol;3,5-dibromopyridine is sourced from PubChem (CID 158087677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).