(2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol

C7H8BrClN2O — CID 131607002

IUPAC(2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol
SMILESN[C@H](CO)c1cc(Br)c(Cl)cn1
InChIInChI=1S/C7H8BrClN2O/c8-4-1-7(6(10)3-12)11-2-5(4)9/h1-2,6,12H,3,10H2/t6-/m1/s1
InChIKeyKYOJUXMCBKNUCZ-ZCFIWIBFSA-N
MW251.51 g/mol
LogP1.49
Rot. Bonds2

About (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol

(2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol (PubChem CID 131607002) has the molecular formula C7H8BrClN2O and a molecular weight of 251.51 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol
PubChem CID131607002
Molecular FormulaC7H8BrClN2O
Molecular Weight251.51 g/mol
Exact Mass249.95
IUPAC Name(2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol
SMILESN[C@H](CO)c1cc(Br)c(Cl)cn1
InChIInChI=1S/C7H8BrClN2O/c8-4-1-7(6(10)3-12)11-2-5(4)9/h1-2,6,12H,3,10H2/t6-/m1/s1
InChIKeyKYOJUXMCBKNUCZ-ZCFIWIBFSA-N
XLogP1.49
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol (CID 131607002) is (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol is N[C@H](CO)c1cc(Br)c(Cl)cn1.
What is the InChIKey of (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol?
The InChIKey is KYOJUXMCBKNUCZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8BrClN2O/c8-4-1-7(6(10)3-12)11-2-5(4)9/h1-2,6,12H,3,10H2/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol?
(2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol has a molecular weight of 251.51 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 131607002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).