1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol

C11H14BrNO — CID 104801568

IUPAC1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
SMILESCC(O)(Cc1cncc(Br)c1)C1CC1
InChIInChI=1S/C11H14BrNO/c1-11(14,9-2-3-9)5-8-4-10(12)7-13-6-8/h4,6-7,9,14H,2-3,5H2,1H3
InChIKeyJFRRIQLQAVYSQI-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.55
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol

1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol (PubChem CID 104801568) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
PubChem CID104801568
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
SMILESCC(O)(Cc1cncc(Br)c1)C1CC1
InChIInChI=1S/C11H14BrNO/c1-11(14,9-2-3-9)5-8-4-10(12)7-13-6-8/h4,6-7,9,14H,2-3,5H2,1H3
InChIKeyJFRRIQLQAVYSQI-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 150728794
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641151
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113456069
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine
CID 113462354
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
2-(4-bromophenyl)-1-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802785

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol (CID 104801568) is 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol is CC(O)(Cc1cncc(Br)c1)C1CC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol?
The InChIKey is JFRRIQLQAVYSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(14,9-2-3-9)5-8-4-10(12)7-13-6-8/h4,6-7,9,14H,2-3,5H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol?
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol has a molecular weight of 256.14 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 104801568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).