(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol

C8H11ClN2O — CID 96854674

IUPAC(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol
SMILESNCC[C@@H](O)c1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c9-8-3-1-2-6(11-8)7(12)4-5-10/h1-3,7,12H,4-5,10H2/t7-/m1/s1
InChIKeyBUQCUQZFLOCKEV-SSDOTTSWSA-N
MW186.64 g/mol
LogP1.12
Rot. Bonds3

About (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol

(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol (PubChem CID 96854674) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol
PubChem CID96854674
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol
SMILESNCC[C@@H](O)c1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c9-8-3-1-2-6(11-8)7(12)4-5-10/h1-3,7,12H,4-5,10H2/t7-/m1/s1
InChIKeyBUQCUQZFLOCKEV-SSDOTTSWSA-N
XLogP1.12
TPSA59.14 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 ≤ 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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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol (CID 96854674) is (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol is NCC[C@@H](O)c1cccc(Cl)n1.
What is the InChIKey of (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol?
The InChIKey is BUQCUQZFLOCKEV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-8-3-1-2-6(11-8)7(12)4-5-10/h1-3,7,12H,4-5,10H2/t7-/m1/s1.
What are the key properties of (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol?
(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol has a molecular weight of 186.64 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 96854674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).