(1R)-1-(3-bromo-4-pyridinyl)ethanol

C7H8BrNO — CID 124562369

IUPAC(1R)-1-(3-bromo-4-pyridinyl)ethanol
SMILESC[C@@H](O)c1ccncc1Br
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3/t5-/m1/s1
InChIKeyUBVWTMPHSNWFEA-RXMQYKEDSA-N
MW202.05 g/mol
LogP1.90
Rot. Bonds1

About (1R)-1-(3-bromo-4-pyridinyl)ethanol

(1R)-1-(3-bromo-4-pyridinyl)ethanol (PubChem CID 124562369) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-pyridinyl)ethanol
PubChem CID124562369
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name(1R)-1-(3-bromo-4-pyridinyl)ethanol
SMILESC[C@@H](O)c1ccncc1Br
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3/t5-/m1/s1
InChIKeyUBVWTMPHSNWFEA-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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-pyridinyl)ethanol?
The IUPAC name of (1R)-1-(3-bromo-4-pyridinyl)ethanol (CID 124562369) is (1R)-1-(3-bromo-4-pyridinyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-4-pyridinyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-4-pyridinyl)ethanol is C[C@@H](O)c1ccncc1Br.
What is the InChIKey of (1R)-1-(3-bromo-4-pyridinyl)ethanol?
The InChIKey is UBVWTMPHSNWFEA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5(10)6-2-3-9-4-7(6)8/h2-5,10H,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-pyridinyl)ethanol?
(1R)-1-(3-bromo-4-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-(3-bromo-4-pyridinyl)ethanol is sourced from PubChem (CID 124562369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).