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

C7H8BrNO — CID 12997435

IUPAC1-(5-bromo-3-pyridinyl)ethanol
SMILESCC(O)c1cncc(Br)c1
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3
InChIKeySRELUKWTQNFSRR-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.90
Rot. Bonds1

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

1-(5-bromo-3-pyridinyl)ethanol (PubChem CID 12997435) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)ethanol
PubChem CID12997435
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name1-(5-bromo-3-pyridinyl)ethanol
SMILESCC(O)c1cncc(Br)c1
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3
InChIKeySRELUKWTQNFSRR-UHFFFAOYSA-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 1-(5-bromo-3-pyridinyl)ethanol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)ethanol (CID 12997435) is 1-(5-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)ethanol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)ethanol is CC(O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)ethanol?
The InChIKey is SRELUKWTQNFSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)ethanol?
1-(5-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 1-(5-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 12997435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).