3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol

C9H14BrN3O — CID 104777519

IUPAC3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol
SMILESCC(O)C(N)CNc1ccncc1Br
InChIInChI=1S/C9H14BrN3O/c1-6(14)8(11)5-13-9-2-3-12-4-7(9)10/h2-4,6,8,14H,5,11H2,1H3,(H,12,13)
InChIKeyVFKBJZFQQVKDDF-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.96
Rot. Bonds4

About 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol

3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol (PubChem CID 104777519) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol
PubChem CID104777519
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol
SMILESCC(O)C(N)CNc1ccncc1Br
InChIInChI=1S/C9H14BrN3O/c1-6(14)8(11)5-13-9-2-3-12-4-7(9)10/h2-4,6,8,14H,5,11H2,1H3,(H,12,13)
InChIKeyVFKBJZFQQVKDDF-UHFFFAOYSA-N
XLogP0.96
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159318
3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
CID 104777110
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
3-amino-4-[(8-nitroisoquinolin-5-yl)amino]butan-2-ol
CID 64541070
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine
CID 106287078
(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570334
(2R)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570335
2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
CID 106345936

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol (CID 104777519) is 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol is CC(O)C(N)CNc1ccncc1Br.
What is the InChIKey of 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol?
The InChIKey is VFKBJZFQQVKDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-6(14)8(11)5-13-9-2-3-12-4-7(9)10/h2-4,6,8,14H,5,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol?
3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 104777519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).