2-(8-bromo-2-chloroquinolin-3-yl)acetic acid

C11H7BrClNO2 — CID 84644580

IUPAC2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
SMILESO=C(O)Cc1cc2cccc(Br)c2nc1Cl
InChIInChI=1S/C11H7BrClNO2/c12-8-3-1-2-6-4-7(5-9(15)16)11(13)14-10(6)8/h1-4H,5H2,(H,15,16)
InChIKeyXQSJZCITZKVWSN-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.28
Rot. Bonds2

About 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid

2-(8-bromo-2-chloroquinolin-3-yl)acetic acid (PubChem CID 84644580) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
PubChem CID84644580
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
SMILESO=C(O)Cc1cc2cccc(Br)c2nc1Cl
InChIInChI=1S/C11H7BrClNO2/c12-8-3-1-2-6-4-7(5-9(15)16)11(13)14-10(6)8/h1-4H,5H2,(H,15,16)
InChIKeyXQSJZCITZKVWSN-UHFFFAOYSA-N
XLogP3.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
8-bromo-2-chloro-3-methoxyquinoline
CID 88869143
5-bromoacridine-4-carboxamide
CID 174361134
3-(8-bromoquinolin-3-yl)propanoic acid
CID 82667595
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
methyl 2-amino-3-(2-chloro-8-methylquinolin-3-yl)propanoate
CID 170883499
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
2-(3-bromo-2-sulfanylphenyl)acetic acid
CID 91874099
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid?
The IUPAC name of 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid (CID 84644580) is 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid is O=C(O)Cc1cc2cccc(Br)c2nc1Cl.
What is the InChIKey of 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid?
The InChIKey is XQSJZCITZKVWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c12-8-3-1-2-6-4-7(5-9(15)16)11(13)14-10(6)8/h1-4H,5H2,(H,15,16).
What are the key properties of 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid?
2-(8-bromo-2-chloroquinolin-3-yl)acetic acid has a molecular weight of 300.54 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-2-chloroquinolin-3-yl)acetic acid is sourced from PubChem (CID 84644580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).