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

C8H11BrN2O — CID 130576237

IUPAC2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
SMILESNC(CO)Cc1ncccc1Br
InChIInChI=1S/C8H11BrN2O/c9-7-2-1-3-11-8(7)4-6(10)5-12/h1-3,6,12H,4-5,10H2
InChIKeyXILXOYWTLRYCIW-UHFFFAOYSA-N
MW231.09 g/mol
LogP0.71
Rot. Bonds3

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

2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol (PubChem CID 130576237) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
PubChem CID130576237
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
SMILESNC(CO)Cc1ncccc1Br
InChIInChI=1S/C8H11BrN2O/c9-7-2-1-3-11-8(7)4-6(10)5-12/h1-3,6,12H,4-5,10H2
InChIKeyXILXOYWTLRYCIW-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

2-[(2R)-2-amino-3-hydroxypropyl]pyridin-3-ol;hydrochloride
CID 162337184
(2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride
CID 142384375
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
2-amino-4-[(3-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821539
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol (CID 130576237) is 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol is NC(CO)Cc1ncccc1Br.
What is the InChIKey of 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol?
The InChIKey is XILXOYWTLRYCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-7-2-1-3-11-8(7)4-6(10)5-12/h1-3,6,12H,4-5,10H2.
What are the key properties of 2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol?
2-amino-3-(3-bromo-2-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-(3-bromo-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 130576237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).