(2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol

C7H8Cl2N2O — CID 130624818

IUPAC(2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol
SMILESN[C@@H](CO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H8Cl2N2O/c8-6-1-4(5(10)3-12)2-7(9)11-6/h1-2,5,12H,3,10H2/t5-/m0/s1
InChIKeyQQVSQDCHSZYGSS-YFKPBYRVSA-N
MW207.06 g/mol
LogP1.38
Rot. Bonds2

About (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol

(2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol (PubChem CID 130624818) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol
PubChem CID130624818
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name(2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol
SMILESN[C@@H](CO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H8Cl2N2O/c8-6-1-4(5(10)3-12)2-7(9)11-6/h1-2,5,12H,3,10H2/t5-/m0/s1
InChIKeyQQVSQDCHSZYGSS-YFKPBYRVSA-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 (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol (CID 130624818) is (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol is N[C@@H](CO)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol?
The InChIKey is QQVSQDCHSZYGSS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c8-6-1-4(5(10)3-12)2-7(9)11-6/h1-2,5,12H,3,10H2/t5-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol?
(2R)-2-amino-2-(2,6-dichloro-4-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 (2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol is sourced from PubChem (CID 130624818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).