3-[(3-bromo-4-pyridinyl)amino]propan-1-ol

C8H11BrN2O — CID 104776769

IUPAC3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
SMILESOCCCNc1ccncc1Br
InChIInChI=1S/C8H11BrN2O/c9-7-6-10-4-2-8(7)11-3-1-5-12/h2,4,6,12H,1,3,5H2,(H,10,11)
InChIKeyVEIFDPBCNHJUAG-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.64
Rot. Bonds4

About 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol

3-[(3-bromo-4-pyridinyl)amino]propan-1-ol (PubChem CID 104776769) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
PubChem CID104776769
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
SMILESOCCCNc1ccncc1Br
InChIInChI=1S/C8H11BrN2O/c9-7-6-10-4-2-8(7)11-3-1-5-12/h2,4,6,12H,1,3,5H2,(H,10,11)
InChIKeyVEIFDPBCNHJUAG-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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Related Compounds

N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
3-bromo-N-(3-phenylpropyl)pyridin-4-amine
CID 104776830
N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
CID 106308448
3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
CID 104777254
3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
CID 104777110
N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
CID 104776803
3-[(8-aminoisoquinolin-5-yl)amino]propan-1-ol
CID 43448813
N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 104777631
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol (CID 104776769) is 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol is OCCCNc1ccncc1Br.
What is the InChIKey of 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol?
The InChIKey is VEIFDPBCNHJUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-7-6-10-4-2-8(7)11-3-1-5-12/h2,4,6,12H,1,3,5H2,(H,10,11).
What are the key properties of 3-[(3-bromo-4-pyridinyl)amino]propan-1-ol?
3-[(3-bromo-4-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-[(3-bromo-4-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 104776769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).