(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol

C9H13BrN2O — CID 99598967

IUPAC(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
SMILESCCNC[C@H](O)c1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-2-11-6-9(13)7-3-8(10)5-12-4-7/h3-5,9,11,13H,2,6H2,1H3/t9-/m0/s1
InChIKeyZCARCZSLZIFMED-VIFPVBQESA-N
MW245.12 g/mol
LogP1.49
Rot. Bonds4

About (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol

(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol (PubChem CID 99598967) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
PubChem CID99598967
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
SMILESCCNC[C@H](O)c1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-2-11-6-9(13)7-3-8(10)5-12-4-7/h3-5,9,11,13H,2,6H2,1H3/t9-/m0/s1
InChIKeyZCARCZSLZIFMED-VIFPVBQESA-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

(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
CID 82919855
3-(5-bromo-3-pyridinyl)-3-hydroxypropanal
CID 114795397
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
1-(5-bromo-3-pyridinyl)butylhydrazine
CID 105251041
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol?
The IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol (CID 99598967) is (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol.
What is the SMILES notation for (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol?
The canonical SMILES for (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol is CCNC[C@H](O)c1cncc(Br)c1.
What is the InChIKey of (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol?
The InChIKey is ZCARCZSLZIFMED-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-11-6-9(13)7-3-8(10)5-12-4-7/h3-5,9,11,13H,2,6H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol?
(1R)-1-(5-bromo-3-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-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 99598967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).