2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol

C8H12BrN3O — CID 103517708

IUPAC2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1c(N)cncc1Br
InChIInChI=1S/C8H12BrN3O/c1-5(4-13)12-8-6(9)2-11-3-7(8)10/h2-3,5,13H,4,10H2,1H3,(H,11,12)
InChIKeyAJEWIXZIHNUSAG-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.22
Rot. Bonds3

About 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol

2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol (PubChem CID 103517708) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
PubChem CID103517708
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1c(N)cncc1Br
InChIInChI=1S/C8H12BrN3O/c1-5(4-13)12-8-6(9)2-11-3-7(8)10/h2-3,5,13H,4,10H2,1H3,(H,11,12)
InChIKeyAJEWIXZIHNUSAG-UHFFFAOYSA-N
XLogP1.22
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
CID 103518468
5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
CID 103518535
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442
5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
CID 103517711
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol (CID 103517708) is 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol is CC(CO)Nc1c(N)cncc1Br.
What is the InChIKey of 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol?
The InChIKey is AJEWIXZIHNUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(4-13)12-8-6(9)2-11-3-7(8)10/h2-3,5,13H,4,10H2,1H3,(H,11,12).
What are the key properties of 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol?
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol has a molecular weight of 246.11 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 103517708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).