(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol

C8H11ClN2O — CID 55271430

IUPAC(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-5(12)8(10)6-3-2-4-7(9)11-6/h2-5,8,12H,10H2,1H3/t5-,8+/m0/s1
InChIKeyFRONSMJAOKEHMQ-YLWLKBPMSA-N
MW186.64 g/mol
LogP1.12
Rot. Bonds2

About (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol

(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol (PubChem CID 55271430) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
PubChem CID55271430
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-5(12)8(10)6-3-2-4-7(9)11-6/h2-5,8,12H,10H2,1H3/t5-,8+/m0/s1
InChIKeyFRONSMJAOKEHMQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol
CID 130815832
2-amino-1-(6-chloro-2-pyridinyl)ethanol
CID 14578852
2-amino-1-(6-chloro-2-pyridinyl)pentan-1-ol
CID 165348764
(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 159350159
(1R,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 161364147
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
methyl 2-amino-2-(6-chloro-2-pyridinyl)acetate
CID 130119542
(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol
CID 96854674
(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55273929
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
CID 55272790
tert-butyl 2-(6-chloro-2-pyridinyl)propanoate
CID 129317588

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol (CID 55271430) is (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol is C[C@H](O)[C@@H](N)c1cccc(Cl)n1.
What is the InChIKey of (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol?
The InChIKey is FRONSMJAOKEHMQ-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5(12)8(10)6-3-2-4-7(9)11-6/h2-5,8,12H,10H2,1H3/t5-,8+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol?
(1S,2S)-1-amino-1-(6-chloro-2-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-(6-chloro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 55271430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).