4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol

C10H14BrNO — CID 174649547

IUPAC4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
SMILESCC(CCO)Cc1ccc(Br)cn1
InChIInChI=1S/C10H14BrNO/c1-8(4-5-13)6-10-3-2-9(11)7-12-10/h2-3,7-8,13H,4-6H2,1H3
InChIKeyXKWHIWDOPAGTAX-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.41
Rot. Bonds4

About 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol

4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol (PubChem CID 174649547) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
PubChem CID174649547
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
SMILESCC(CCO)Cc1ccc(Br)cn1
InChIInChI=1S/C10H14BrNO/c1-8(4-5-13)6-10-3-2-9(11)7-12-10/h2-3,7-8,13H,4-6H2,1H3
InChIKeyXKWHIWDOPAGTAX-UHFFFAOYSA-N
XLogP2.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 104813254
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CID 104810436
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
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
CID 104813220
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
CID 104813197
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol (CID 174649547) is 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol is CC(CCO)Cc1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is XKWHIWDOPAGTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8(4-5-13)6-10-3-2-9(11)7-12-10/h2-3,7-8,13H,4-6H2,1H3.
What are the key properties of 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol?
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 174649547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).