(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol

C8H11ClN2O — CID 131023913

IUPAC(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cncc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-5(12)8(10)6-2-7(9)4-11-3-6/h2-5,8,12H,10H2,1H3/t5-,8+/m0/s1
InChIKeyXUDOSKBKFYYAFZ-YLWLKBPMSA-N
MW186.64 g/mol
LogP1.12
Rot. Bonds2

About (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol

(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol (PubChem CID 131023913) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
PubChem CID131023913
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cncc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-5(12)8(10)6-2-7(9)4-11-3-6/h2-5,8,12H,10H2,1H3/t5-,8+/m0/s1
InChIKeyXUDOSKBKFYYAFZ-YLWLKBPMSA-N
XLogP1.12
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 131463737
5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
CID 55268758
2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol
CID 123836441
(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130655879
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 130706086
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol (CID 131023913) is (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol is C[C@H](O)[C@@H](N)c1cncc(Cl)c1.
What is the InChIKey of (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol?
The InChIKey is XUDOSKBKFYYAFZ-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5(12)8(10)6-2-7(9)4-11-3-6/h2-5,8,12H,10H2,1H3/t5-,8+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol?
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol has a molecular weight of 186.64 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 131023913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).