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

C8H11BrN2O — CID 115649533

IUPAC2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
SMILESNC(CO)Cc1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O/c9-7-1-6(3-11-4-7)2-8(10)5-12/h1,3-4,8,12H,2,5,10H2
InChIKeyFBAODKCGQOTDMZ-UHFFFAOYSA-N
MW231.09 g/mol
LogP0.71
Rot. Bonds3

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

2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol (PubChem CID 115649533) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
PubChem CID115649533
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
SMILESNC(CO)Cc1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O/c9-7-1-6(3-11-4-7)2-8(10)5-12/h1,3-4,8,12H,2,5,10H2
InChIKeyFBAODKCGQOTDMZ-UHFFFAOYSA-N
XLogP0.71
TPSA59.14 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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
CID 103544159
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
3-(5-bromo-3-pyridinyl)-2-chloropropanamide
CID 130486994
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 104801933
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802808
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol?
The IUPAC name of 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol (CID 115649533) is 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol is NC(CO)Cc1cncc(Br)c1.
What is the InChIKey of 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol?
The InChIKey is FBAODKCGQOTDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-7-1-6(3-11-4-7)2-8(10)5-12/h1,3-4,8,12H,2,5,10H2.
What are the key properties of 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol?
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol has a molecular weight of 231.09 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 115649533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).