(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol

C8H11ClN2O — CID 131165748

IUPAC(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c1-10-8(5-12)7-3-2-6(9)4-11-7/h2-4,8,10,12H,5H2,1H3/t8-/m1/s1
InChIKeyZTFZQLMVTXSSPS-MRVPVSSYSA-N
MW186.64 g/mol
LogP0.99
Rot. Bonds3

About (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol

(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol (PubChem CID 131165748) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol
PubChem CID131165748
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c1-10-8(5-12)7-3-2-6(9)4-11-7/h2-4,8,10,12H,5H2,1H3/t8-/m1/s1
InChIKeyZTFZQLMVTXSSPS-MRVPVSSYSA-N
XLogP0.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(5-chloro-2-pyridinyl)butylhydrazine
CID 105251364
2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine
CID 63560015
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine
CID 83162025
1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889689
2-(1-bromoethyl)-5-chloropyridine
CID 58279845
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
CID 130863797
(1S)-1-(5-chloro-2-pyridinyl)-4,4-dimethylpentan-1-ol
CID 157416756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol?
The IUPAC name of (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol (CID 131165748) is (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol?
The canonical SMILES for (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol is CN[C@H](CO)c1ccc(Cl)cn1.
What is the InChIKey of (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol?
The InChIKey is ZTFZQLMVTXSSPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-10-8(5-12)7-3-2-6(9)4-11-7/h2-4,8,10,12H,5H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol?
(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol has a molecular weight of 186.64 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol is sourced from PubChem (CID 131165748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).