1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol

C13H21BrN2O — CID 104800312

IUPAC1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccc(Br)cn1)N(C)C
InChIInChI=1S/C13H21BrN2O/c1-5-13(2,16(3)4)12(17)8-11-7-6-10(14)9-15-11/h6-7,9,12,17H,5,8H2,1-4H3
InChIKeyDHOXKZVKXBPGRV-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.48
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol

1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol (PubChem CID 104800312) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
PubChem CID104800312
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccc(Br)cn1)N(C)C
InChIInChI=1S/C13H21BrN2O/c1-5-13(2,16(3)4)12(17)8-11-7-6-10(14)9-15-11/h6-7,9,12,17H,5,8H2,1-4H3
InChIKeyDHOXKZVKXBPGRV-UHFFFAOYSA-N
XLogP2.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 104802941
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79062858
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
CID 104802996
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-(dimethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-ol
CID 79746221
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol (CID 104800312) is 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol is CCC(C)(C(O)Cc1ccc(Br)cn1)N(C)C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The InChIKey is DHOXKZVKXBPGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-5-13(2,16(3)4)12(17)8-11-7-6-10(14)9-15-11/h6-7,9,12,17H,5,8H2,1-4H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol?
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 104800312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).