(2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol

C9H13BrN2O — CID 57328191

IUPAC(2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-2-7(6-13)11-9-5-3-4-8(10)12-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyATQONVKZRHHVAO-SSDOTTSWSA-N
MW245.12 g/mol
LogP2.03
Rot. Bonds4

About (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol

(2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol (PubChem CID 57328191) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol
PubChem CID57328191
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-2-7(6-13)11-9-5-3-4-8(10)12-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyATQONVKZRHHVAO-SSDOTTSWSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.03
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 (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol (CID 57328191) is (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol is CC[C@H](CO)Nc1cccc(Br)n1.
What is the InChIKey of (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol?
The InChIKey is ATQONVKZRHHVAO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-7(6-13)11-9-5-3-4-8(10)12-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol?
(2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-bromo-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 57328191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).