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

C7H8BrNO — CID 68671332

IUPAC(1S)-1-(5-bromo-3-pyridinyl)ethanol
SMILESC[C@H](O)c1cncc(Br)c1
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3/t5-/m0/s1
InChIKeySRELUKWTQNFSRR-YFKPBYRVSA-N
MW202.05 g/mol
LogP1.90
Rot. Bonds1

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

(1S)-1-(5-bromo-3-pyridinyl)ethanol (PubChem CID 68671332) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is (1S)-1-(5-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-bromo-3-pyridinyl)ethanol
PubChem CID68671332
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name(1S)-1-(5-bromo-3-pyridinyl)ethanol
SMILESC[C@H](O)c1cncc(Br)c1
InChIInChI=1S/C7H8BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3/t5-/m0/s1
InChIKeySRELUKWTQNFSRR-YFKPBYRVSA-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

Analyze (1S)-1-(5-bromo-3-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
CID 82919855
(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022
(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
CID 99598967
(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
CID 160748574
3-(5-bromo-3-pyridinyl)-3-hydroxypropanal
CID 114795397
(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol
CID 112732851
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)ethanol (CID 68671332) is (1S)-1-(5-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(5-bromo-3-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(5-bromo-3-pyridinyl)ethanol is C[C@H](O)c1cncc(Br)c1.
What is the InChIKey of (1S)-1-(5-bromo-3-pyridinyl)ethanol?
The InChIKey is SRELUKWTQNFSRR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-5,10H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-3-pyridinyl)ethanol?
(1S)-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 (1S)-1-(5-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 68671332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).