(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol

C9H13BrN2O — CID 99981108

IUPAC(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
SMILESCCNC[C@@H](O)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-2-11-6-8(13)9-7(10)4-3-5-12-9/h3-5,8,11,13H,2,6H2,1H3/t8-/m1/s1
InChIKeyAZZDBMOKRAXVJB-MRVPVSSYSA-N
MW245.12 g/mol
LogP1.49
Rot. Bonds4

About (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol

(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol (PubChem CID 99981108) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
PubChem CID99981108
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
SMILESCCNC[C@@H](O)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-2-11-6-8(13)9-7(10)4-3-5-12-9/h3-5,8,11,13H,2,6H2,1H3/t8-/m1/s1
InChIKeyAZZDBMOKRAXVJB-MRVPVSSYSA-N
XLogP1.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 102567815
1-(3-bromo-2-pyridinyl)-4-ethylsulfonylbutan-1-ol
CID 113398312
2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine
CID 107517375
1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
CID 114931671
1-(3-bromo-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113398309
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
1-(3-bromo-2-pyridinyl)-3-methylbut-2-en-1-ol
CID 107526497
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
[1-(3-bromo-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105267953
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol
CID 113398314

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
The IUPAC name of (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol (CID 99981108) is (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol is CCNC[C@@H](O)c1ncccc1Br.
What is the InChIKey of (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
The InChIKey is AZZDBMOKRAXVJB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-11-6-8(13)9-7(10)4-3-5-12-9/h3-5,8,11,13H,2,6H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol has a molecular weight of 245.12 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 99981108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).