3-[(5-bromo-2-pyridinyl)amino]propan-1-ol

C8H11BrN2O — CID 29053203

IUPAC3-[(5-bromo-2-pyridinyl)amino]propan-1-ol
SMILESOCCCNc1ccc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c9-7-2-3-8(11-6-7)10-4-1-5-12/h2-3,6,12H,1,4-5H2,(H,10,11)
InChIKeyFHLOOBDPYBHXQE-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.64
Rot. Bonds4

About 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol

3-[(5-bromo-2-pyridinyl)amino]propan-1-ol (PubChem CID 29053203) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)amino]propan-1-ol
PubChem CID29053203
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name3-[(5-bromo-2-pyridinyl)amino]propan-1-ol
SMILESOCCCNc1ccc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c9-7-2-3-8(11-6-7)10-4-1-5-12/h2-3,6,12H,1,4-5H2,(H,10,11)
InChIKeyFHLOOBDPYBHXQE-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol (CID 29053203) is 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol is OCCCNc1ccc(Br)cn1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
The InChIKey is FHLOOBDPYBHXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-7-2-3-8(11-6-7)10-4-1-5-12/h2-3,6,12H,1,4-5H2,(H,10,11).
What are the key properties of 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol?
3-[(5-bromo-2-pyridinyl)amino]propan-1-ol has a molecular weight of 231.09 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 29053203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).