2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol

C11H14BrNO — CID 104800252

IUPAC2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1cncc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-7-2-10(7)11(14)4-8-3-9(12)6-13-5-8/h3,5-7,10-11,14H,2,4H2,1H3
InChIKeyZTIVMESKBYGPQT-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.40
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol

2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol (PubChem CID 104800252) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
PubChem CID104800252
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1cncc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-7-2-10(7)11(14)4-8-3-9(12)6-13-5-8/h3,5-7,10-11,14H,2,4H2,1H3
InChIKeyZTIVMESKBYGPQT-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 104800243
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CID 124595657
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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol (CID 104800252) is 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol is CC1CC1C(O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol?
The InChIKey is ZTIVMESKBYGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-2-10(7)11(14)4-8-3-9(12)6-13-5-8/h3,5-7,10-11,14H,2,4H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol has a molecular weight of 256.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol is sourced from PubChem (CID 104800252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).