(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride

C9H12Cl2N2O3 — CID 171268542

IUPAC(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C9H11ClN2O3.ClH/c1-5(13)9(11)7-4-6(10)2-3-8(7)12(14)15;/h2-5,9,13H,11H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyRXSZOXPCCBSMTJ-AXHNGXNJSA-N
MW267.11 g/mol
LogP2.05
Rot. Bonds3

About (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride (PubChem CID 171268542) has the molecular formula C9H12Cl2N2O3 and a molecular weight of 267.11 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride
PubChem CID171268542
Molecular FormulaC9H12Cl2N2O3
Molecular Weight267.11 g/mol
Exact Mass266.02
IUPAC Name(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C9H11ClN2O3.ClH/c1-5(13)9(11)7-4-6(10)2-3-8(7)12(14)15;/h2-5,9,13H,11H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyRXSZOXPCCBSMTJ-AXHNGXNJSA-N
XLogP2.05
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-nitrophenyl)butan-2-ol
CID 115472092
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)butan-2-ol
CID 171268543
(1S,2R)-2-amino-2-(5-chloro-2-nitrophenyl)-1-cyclobutylethanol;hydrochloride
CID 171262875
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171268568
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
2-(5-chloro-2-nitrophenyl)propan-1-ol
CID 10059144
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993
(1R)-1-(5-chloro-2-nitrophenyl)-3-methylbut-3-en-1-amine
CID 171206413
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1S)-1-(5-chloro-2-nitrophenyl)pentane-1,5-diamine;hydrochloride
CID 171225953

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride (CID 171268542) is (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1cc(Cl)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride?
The InChIKey is RXSZOXPCCBSMTJ-AXHNGXNJSA-N. The full InChI is InChI=1S/C9H11ClN2O3.ClH/c1-5(13)9(11)7-4-6(10)2-3-8(7)12(14)15;/h2-5,9,13H,11H2,1H3;1H/t5-,9-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride has a molecular weight of 267.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171268542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).