(1R)-1-(6-bromo-3-pyridinyl)ethanol

C7H8BrNO — CID 15668202

IUPAC(1R)-1-(6-bromo-3-pyridinyl)ethanol
SMILESC[C@@H](O)c1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3/t5-/m1/s1
InChIKeyQDOJZKXYIAXLDB-RXMQYKEDSA-N
MW202.05 g/mol
LogP1.90
Rot. Bonds1

About (1R)-1-(6-bromo-3-pyridinyl)ethanol

(1R)-1-(6-bromo-3-pyridinyl)ethanol (PubChem CID 15668202) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is (1R)-1-(6-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(6-bromo-3-pyridinyl)ethanol
PubChem CID15668202
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name(1R)-1-(6-bromo-3-pyridinyl)ethanol
SMILESC[C@@H](O)c1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3/t5-/m1/s1
InChIKeyQDOJZKXYIAXLDB-RXMQYKEDSA-N
XLogP1.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-3-pyridinyl)ethanol?
The IUPAC name of (1R)-1-(6-bromo-3-pyridinyl)ethanol (CID 15668202) is (1R)-1-(6-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for (1R)-1-(6-bromo-3-pyridinyl)ethanol?
The canonical SMILES for (1R)-1-(6-bromo-3-pyridinyl)ethanol is C[C@@H](O)c1ccc(Br)nc1.
What is the InChIKey of (1R)-1-(6-bromo-3-pyridinyl)ethanol?
The InChIKey is QDOJZKXYIAXLDB-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(6-bromo-3-pyridinyl)ethanol?
(1R)-1-(6-bromo-3-pyridinyl)ethanol has a molecular weight of 202.05 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 15668202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).