2-amino-3-bromoquinolin-7-ol

C9H7BrN2O — CID 137043049

IUPAC2-amino-3-bromoquinolin-7-ol
SMILESNc1nc2cc(O)ccc2cc1Br
InChIInChI=1S/C9H7BrN2O/c10-7-3-5-1-2-6(13)4-8(5)12-9(7)11/h1-4,13H,(H2,11,12)
InChIKeyAVHZKSFWVOVKRZ-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.29
Rot. Bonds

About 2-amino-3-bromoquinolin-7-ol

2-amino-3-bromoquinolin-7-ol (PubChem CID 137043049) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-amino-3-bromoquinolin-7-ol.

Molecular Properties

Compound Name2-amino-3-bromoquinolin-7-ol
PubChem CID137043049
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-amino-3-bromoquinolin-7-ol
SMILESNc1nc2cc(O)ccc2cc1Br
InChIInChI=1S/C9H7BrN2O/c10-7-3-5-1-2-6(13)4-8(5)12-9(7)11/h1-4,13H,(H2,11,12)
InChIKeyAVHZKSFWVOVKRZ-UHFFFAOYSA-N
XLogP2.29
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromoquinolin-7-ol?
The IUPAC name of 2-amino-3-bromoquinolin-7-ol (CID 137043049) is 2-amino-3-bromoquinolin-7-ol.
What is the SMILES notation for 2-amino-3-bromoquinolin-7-ol?
The canonical SMILES for 2-amino-3-bromoquinolin-7-ol is Nc1nc2cc(O)ccc2cc1Br.
What is the InChIKey of 2-amino-3-bromoquinolin-7-ol?
The InChIKey is AVHZKSFWVOVKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-5-1-2-6(13)4-8(5)12-9(7)11/h1-4,13H,(H2,11,12).
What are the key properties of 2-amino-3-bromoquinolin-7-ol?
2-amino-3-bromoquinolin-7-ol has a molecular weight of 239.07 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromoquinolin-7-ol is sourced from PubChem (CID 137043049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).