(1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol

C11H15BrN2O — CID 99981105

IUPAC(1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol
SMILESO[C@H](CNCC1CC1)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c12-9-3-4-10(14-6-9)11(15)7-13-5-8-1-2-8/h3-4,6,8,11,13,15H,1-2,5,7H2/t11-/m1/s1
InChIKeySCKFRFXZJIEMBB-LLVKDONJSA-N
MW271.16 g/mol
LogP1.88
Rot. Bonds5

About (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol

(1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol (PubChem CID 99981105) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol
PubChem CID99981105
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol
SMILESO[C@H](CNCC1CC1)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c12-9-3-4-10(14-6-9)11(15)7-13-5-8-1-2-8/h3-4,6,8,11,13,15H,1-2,5,7H2/t11-/m1/s1
InChIKeySCKFRFXZJIEMBB-LLVKDONJSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol?
The IUPAC name of (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol (CID 99981105) is (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol.
What is the SMILES notation for (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol?
The canonical SMILES for (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol is O[C@H](CNCC1CC1)c1ccc(Br)cn1.
What is the InChIKey of (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol?
The InChIKey is SCKFRFXZJIEMBB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-9-3-4-10(14-6-9)11(15)7-13-5-8-1-2-8/h3-4,6,8,11,13,15H,1-2,5,7H2/t11-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol?
(1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol has a molecular weight of 271.16 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol is sourced from PubChem (CID 99981105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).