(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol

C8H10Cl2N2O — CID 130618256

IUPAC(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-4(13)7(11)5-2-3-6(9)12-8(5)10/h2-4,7,13H,11H2,1H3/t4-,7-/m0/s1
InChIKeyMNECVUQNTHZWFT-FFWSUHOLSA-N
MW221.09 g/mol
LogP1.77
Rot. Bonds2

About (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol

(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol (PubChem CID 130618256) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
PubChem CID130618256
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-4(13)7(11)5-2-3-6(9)12-8(5)10/h2-4,7,13H,11H2,1H3/t4-,7-/m0/s1
InChIKeyMNECVUQNTHZWFT-FFWSUHOLSA-N
XLogP1.77
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.77
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 (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol (CID 130618256) is (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol is C[C@H](O)[C@H](N)c1ccc(Cl)nc1Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol?
The InChIKey is MNECVUQNTHZWFT-FFWSUHOLSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-4(13)7(11)5-2-3-6(9)12-8(5)10/h2-4,7,13H,11H2,1H3/t4-,7-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol?
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol has a molecular weight of 221.09 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 130618256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).