2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride

C7H11BrClNO2 — CID 170892477

IUPAC2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(Br)co1
InChIInChI=1S/C7H10BrNO2.ClH/c8-5-1-7(11-4-5)2-6(9)3-10;/h1,4,6,10H,2-3,9H2;1H
InChIKeySIJHSUIXHKEWHS-UHFFFAOYSA-N
MW256.53 g/mol
LogP1.33
Rot. Bonds3

About 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride

2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride (PubChem CID 170892477) has the molecular formula C7H11BrClNO2 and a molecular weight of 256.53 g/mol. Its IUPAC name is 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride
PubChem CID170892477
Molecular FormulaC7H11BrClNO2
Molecular Weight256.53 g/mol
Exact Mass254.97
IUPAC Name2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(Br)co1
InChIInChI=1S/C7H10BrNO2.ClH/c8-5-1-7(11-4-5)2-6(9)3-10;/h1,4,6,10H,2-3,9H2;1H
InChIKeySIJHSUIXHKEWHS-UHFFFAOYSA-N
XLogP1.33
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.53
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride (CID 170892477) is 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cc(Br)co1.
What is the InChIKey of 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride?
The InChIKey is SIJHSUIXHKEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2.ClH/c8-5-1-7(11-4-5)2-6(9)3-10;/h1,4,6,10H,2-3,9H2;1H.
What are the key properties of 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride?
2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride has a molecular weight of 256.53 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).