1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol

C11H16BrNO — CID 63200943

IUPAC1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO/c1-11(2,3)10(14)6-9-5-4-8(12)7-13-9/h4-5,7,10,14H,6H2,1-3H3
InChIKeyROHDRSICHRDBJP-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.79
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol

1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol (PubChem CID 63200943) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
PubChem CID63200943
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO/c1-11(2,3)10(14)6-9-5-4-8(12)7-13-9/h4-5,7,10,14H,6H2,1-3H3
InChIKeyROHDRSICHRDBJP-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 104800312
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 113455860
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-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol (CID 63200943) is 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The InChIKey is ROHDRSICHRDBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,3)10(14)6-9-5-4-8(12)7-13-9/h4-5,7,10,14H,6H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol?
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 63200943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).