(1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol

C9H13ClN2O2 — CID 130632462

IUPAC(1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol
SMILESCOc1cc([C@@H](N)[C@@H](C)O)cc(Cl)n1
InChIInChI=1S/C9H13ClN2O2/c1-5(13)9(11)6-3-7(10)12-8(4-6)14-2/h3-5,9,13H,11H2,1-2H3/t5-,9+/m1/s1
InChIKeyGEMUOZRWTJKSQW-ANLVUFKYSA-N
MW216.67 g/mol
LogP1.12
Rot. Bonds3

About (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol

(1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol (PubChem CID 130632462) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol
PubChem CID130632462
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name(1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol
SMILESCOc1cc([C@@H](N)[C@@H](C)O)cc(Cl)n1
InChIInChI=1S/C9H13ClN2O2/c1-5(13)9(11)6-3-7(10)12-8(4-6)14-2/h3-5,9,13H,11H2,1-2H3/t5-,9+/m1/s1
InChIKeyGEMUOZRWTJKSQW-ANLVUFKYSA-N
XLogP1.12
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol with MolForge

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Related Compounds

(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
2,4-dichloro-6-methoxypyridine
CID 59872472
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1R,2S)-1-amino-1-(3-methoxy-5-methylphenyl)propan-2-ol
CID 130641890
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
1-(2-chloro-6-methyl-4-pyridinyl)-2-methylpropan-1-amine
CID 55271130
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol (CID 130632462) is (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol is COc1cc([C@@H](N)[C@@H](C)O)cc(Cl)n1.
What is the InChIKey of (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol?
The InChIKey is GEMUOZRWTJKSQW-ANLVUFKYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5(13)9(11)6-3-7(10)12-8(4-6)14-2/h3-5,9,13H,11H2,1-2H3/t5-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol?
(1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol has a molecular weight of 216.67 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(2-chloro-6-methoxy-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 130632462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).