2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol

C13H12Cl2N2O — CID 123836441

IUPAC2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol
SMILESNC(c1ccc(Cl)cc1)C(O)c1cncc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c14-10-3-1-8(2-4-10)12(16)13(18)9-5-11(15)7-17-6-9/h1-7,12-13,18H,16H2
InChIKeyURGXGZFUMBHULF-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.12
Rot. Bonds3

About 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol

2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol (PubChem CID 123836441) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol
PubChem CID123836441
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol
SMILESNC(c1ccc(Cl)cc1)C(O)c1cncc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c14-10-3-1-8(2-4-10)12(16)13(18)9-5-11(15)7-17-6-9/h1-7,12-13,18H,16H2
InChIKeyURGXGZFUMBHULF-UHFFFAOYSA-N
XLogP3.12
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 123991915
2-amino-2-(4-chlorophenyl)-1-(3-methylphenyl)ethanol
CID 123458575
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130655879
4-bromo-1-(5-chloro-3-pyridinyl)butane-1,2-diol
CID 171891473
2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 123406451

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol (CID 123836441) is 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol is NC(c1ccc(Cl)cc1)C(O)c1cncc(Cl)c1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol?
The InChIKey is URGXGZFUMBHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-10-3-1-8(2-4-10)12(16)13(18)9-5-11(15)7-17-6-9/h1-7,12-13,18H,16H2.
What are the key properties of 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol?
2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol has a molecular weight of 283.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol is sourced from PubChem (CID 123836441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).