(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol

C8H10Cl2N2O — CID 131218477

IUPAC(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1ncc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-11-7(4-13)8-6(10)2-5(9)3-12-8/h2-3,7,11,13H,4H2,1H3/t7-/m1/s1
InChIKeyASIQSXKXIQGCKF-SSDOTTSWSA-N
MW221.09 g/mol
LogP1.64
Rot. Bonds3

About (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol

(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol (PubChem CID 131218477) 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)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
PubChem CID131218477
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1ncc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-11-7(4-13)8-6(10)2-5(9)3-12-8/h2-3,7,11,13H,4H2,1H3/t7-/m1/s1
InChIKeyASIQSXKXIQGCKF-SSDOTTSWSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N,4-dimethylpent-4-en-1-amine
CID 114475430
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
CID 79779895
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79780724
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050226
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467
1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 79780550
(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131165748
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol?
The IUPAC name of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol (CID 131218477) is (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol?
The canonical SMILES for (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol is CN[C@H](CO)c1ncc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol?
The InChIKey is ASIQSXKXIQGCKF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-11-7(4-13)8-6(10)2-5(9)3-12-8/h2-3,7,11,13H,4H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol?
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol has a molecular weight of 221.09 g/mol, XLogP of 1.64, 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)-2-(methylamino)ethanol is sourced from PubChem (CID 131218477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).