2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride

C8H12BrClN2O — CID 170893389

IUPAC2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccncc1Br
InChIInChI=1S/C8H11BrN2O.ClH/c9-8-4-11-2-1-6(8)3-7(10)5-12;/h1-2,4,7,12H,3,5,10H2;1H
InChIKeyHLJNKEWVJMUEEL-UHFFFAOYSA-N
MW267.55 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride

2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 170893389) has the molecular formula C8H12BrClN2O and a molecular weight of 267.55 g/mol. Its IUPAC name is 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride
PubChem CID170893389
Molecular FormulaC8H12BrClN2O
Molecular Weight267.55 g/mol
Exact Mass265.98
IUPAC Name2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccncc1Br
InChIInChI=1S/C8H11BrN2O.ClH/c9-8-4-11-2-1-6(8)3-7(10)5-12;/h1-2,4,7,12H,3,5,10H2;1H
InChIKeyHLJNKEWVJMUEEL-UHFFFAOYSA-N
XLogP1.13
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride (CID 170893389) is 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccncc1Br.
What is the InChIKey of 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is HLJNKEWVJMUEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O.ClH/c9-8-4-11-2-1-6(8)3-7(10)5-12;/h1-2,4,7,12H,3,5,10H2;1H.
What are the key properties of 2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride?
2-amino-3-(3-bromo-4-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 267.55 g/mol, XLogP of 1.13, 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-4-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).