(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol

C7H8Cl2N2O — CID 130618210

IUPAC(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol
SMILESN[C@H](CO)c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c8-4-1-2-6(5(10)3-12)11-7(4)9/h1-2,5,12H,3,10H2/t5-/m1/s1
InChIKeyHQXJMNIBJTVRFH-RXMQYKEDSA-N
MW207.06 g/mol
LogP1.38
Rot. Bonds2

About (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol

(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol (PubChem CID 130618210) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol
PubChem CID130618210
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol
SMILESN[C@H](CO)c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c8-4-1-2-6(5(10)3-12)11-7(4)9/h1-2,5,12H,3,10H2/t5-/m1/s1
InChIKeyHQXJMNIBJTVRFH-RXMQYKEDSA-N
XLogP1.38
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol (CID 130618210) is (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol is N[C@H](CO)c1ccc(Cl)c(Cl)n1.
What is the InChIKey of (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol?
The InChIKey is HQXJMNIBJTVRFH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c8-4-1-2-6(5(10)3-12)11-7(4)9/h1-2,5,12H,3,10H2/t5-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol?
(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol has a molecular weight of 207.06 g/mol, XLogP of 1.38, 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-(5,6-dichloro-2-pyridinyl)ethanol is sourced from PubChem (CID 130618210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).