(2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol

C8H11BrN2O — CID 70223643

IUPAC(2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ccc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-6(5-12)11-8-3-2-7(9)4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyMHMPNNKNGPHJAE-LURJTMIESA-N
MW231.09 g/mol
LogP1.64
Rot. Bonds3

About (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol

(2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol (PubChem CID 70223643) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol
PubChem CID70223643
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name(2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ccc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-6(5-12)11-8-3-2-7(9)4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyMHMPNNKNGPHJAE-LURJTMIESA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol (CID 70223643) is (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol is C[C@@H](CO)Nc1ccc(Br)cn1.
What is the InChIKey of (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
The InChIKey is MHMPNNKNGPHJAE-LURJTMIESA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-6(5-12)11-8-3-2-7(9)4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
(2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol has a molecular weight of 231.09 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 70223643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).