(2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol

C8H10Cl2N2O — CID 93083623

IUPAC(2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyJOIQREIDEWIFHN-YFKPBYRVSA-N
MW221.09 g/mol
LogP2.18
Rot. Bonds3

About (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol

(2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol (PubChem CID 93083623) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol
PubChem CID93083623
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name(2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyJOIQREIDEWIFHN-YFKPBYRVSA-N
XLogP2.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol (CID 93083623) is (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol is C[C@@H](CO)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is JOIQREIDEWIFHN-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol?
(2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 221.09 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dichloro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 93083623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).