2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol

C7H8BrClN2O — CID 167350764

IUPAC2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
SMILESOCCNc1nc(Cl)ccc1Br
InChIInChI=1S/C7H8BrClN2O/c8-5-1-2-6(9)11-7(5)10-3-4-12/h1-2,12H,3-4H2,(H,10,11)
InChIKeyKTTXZBFJOSXLPO-UHFFFAOYSA-N
MW251.51 g/mol
LogP1.90
Rot. Bonds3

About 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol

2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol (PubChem CID 167350764) has the molecular formula C7H8BrClN2O and a molecular weight of 251.51 g/mol. Its IUPAC name is 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
PubChem CID167350764
Molecular FormulaC7H8BrClN2O
Molecular Weight251.51 g/mol
Exact Mass249.95
IUPAC Name2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
SMILESOCCNc1nc(Cl)ccc1Br
InChIInChI=1S/C7H8BrClN2O/c8-5-1-2-6(9)11-7(5)10-3-4-12/h1-2,12H,3-4H2,(H,10,11)
InChIKeyKTTXZBFJOSXLPO-UHFFFAOYSA-N
XLogP1.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 51.90
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

2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol
CID 130660409
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
(2S)-4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol
CID 131067653
2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol
CID 173318806
2-[(6-chloro-3-pyridinyl)amino]ethanol
CID 118956304
2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol
CID 172603441
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
CID 175104832
6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 55182902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol (CID 167350764) is 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol is OCCNc1nc(Cl)ccc1Br.
What is the InChIKey of 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol?
The InChIKey is KTTXZBFJOSXLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O/c8-5-1-2-6(9)11-7(5)10-3-4-12/h1-2,12H,3-4H2,(H,10,11).
What are the key properties of 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol?
2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol has a molecular weight of 251.51 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 167350764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).