2-(6-bromoquinolin-3-yl)acetic acid

C11H8BrNO2 — CID 82667210

IUPAC2-(6-bromoquinolin-3-yl)acetic acid
SMILESO=C(O)Cc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C11H8BrNO2/c12-9-1-2-10-8(5-9)3-7(6-13-10)4-11(14)15/h1-3,5-6H,4H2,(H,14,15)
InChIKeyKBPVABMRRCAKTD-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.62
Rot. Bonds2

About 2-(6-bromoquinolin-3-yl)acetic acid

2-(6-bromoquinolin-3-yl)acetic acid (PubChem CID 82667210) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)acetic acid
PubChem CID82667210
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name2-(6-bromoquinolin-3-yl)acetic acid
SMILESO=C(O)Cc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C11H8BrNO2/c12-9-1-2-10-8(5-9)3-7(6-13-10)4-11(14)15/h1-3,5-6H,4H2,(H,14,15)
InChIKeyKBPVABMRRCAKTD-UHFFFAOYSA-N
XLogP2.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-bromoquinolin-3-yl)acetic acid (CID 82667210) is 2-(6-bromoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)acetic acid is O=C(O)Cc1cnc2ccc(Br)cc2c1.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)acetic acid?
The InChIKey is KBPVABMRRCAKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-9-1-2-10-8(5-9)3-7(6-13-10)4-11(14)15/h1-3,5-6H,4H2,(H,14,15).
What are the key properties of 2-(6-bromoquinolin-3-yl)acetic acid?
2-(6-bromoquinolin-3-yl)acetic acid has a molecular weight of 266.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)acetic acid is sourced from PubChem (CID 82667210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).