2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride

C7H10BrClN2O — CID 121347573

IUPAC2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1cccc(Br)n1
InChIInChI=1S/C7H9BrN2O.ClH/c8-7-3-1-2-6(10-7)5(9)4-11;/h1-3,5,11H,4,9H2;1H
InChIKeyAKVWGNMQRFXRHZ-UHFFFAOYSA-N
MW253.53 g/mol
LogP1.26
Rot. Bonds2

About 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride

2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride (PubChem CID 121347573) has the molecular formula C7H10BrClN2O and a molecular weight of 253.53 g/mol. Its IUPAC name is 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
PubChem CID121347573
Molecular FormulaC7H10BrClN2O
Molecular Weight253.53 g/mol
Exact Mass251.97
IUPAC Name2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1cccc(Br)n1
InChIInChI=1S/C7H9BrN2O.ClH/c8-7-3-1-2-6(10-7)5(9)4-11;/h1-3,5,11H,4,9H2;1H
InChIKeyAKVWGNMQRFXRHZ-UHFFFAOYSA-N
XLogP1.26
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.53
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972
(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203392
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
CID 171203412
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849
(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
CID 130606678
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171222960
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride (CID 121347573) is 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride is Cl.NC(CO)c1cccc(Br)n1.
What is the InChIKey of 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride?
The InChIKey is AKVWGNMQRFXRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O.ClH/c8-7-3-1-2-6(10-7)5(9)4-11;/h1-3,5,11H,4,9H2;1H.
What are the key properties of 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride?
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride has a molecular weight of 253.53 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride is sourced from PubChem (CID 121347573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).