(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol

C8H11BrN2O — CID 96804187

IUPAC(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
SMILESCNC[C@@H](O)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O/c1-10-5-8(12)6-2-7(9)4-11-3-6/h2-4,8,10,12H,5H2,1H3/t8-/m1/s1
InChIKeyLKCBATZLHZQYSD-MRVPVSSYSA-N
MW231.09 g/mol
LogP1.10
Rot. Bonds3

About (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol

(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol (PubChem CID 96804187) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
PubChem CID96804187
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
SMILESCNC[C@@H](O)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O/c1-10-5-8(12)6-2-7(9)4-11-3-6/h2-4,8,10,12H,5H2,1H3/t8-/m1/s1
InChIKeyLKCBATZLHZQYSD-MRVPVSSYSA-N
XLogP1.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
CID 99598967
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
CID 82919855
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
3-(5-bromo-3-pyridinyl)-3-hydroxypropanal
CID 114795397
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 84714418
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415
(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol?
The IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol (CID 96804187) is (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol.
What is the SMILES notation for (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol?
The canonical SMILES for (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol is CNC[C@@H](O)c1cncc(Br)c1.
What is the InChIKey of (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol?
The InChIKey is LKCBATZLHZQYSD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-10-5-8(12)6-2-7(9)4-11-3-6/h2-4,8,10,12H,5H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol?
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol has a molecular weight of 231.09 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol is sourced from PubChem (CID 96804187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).