2-bromo-6-ethylquinoline-4-carboxylic acid

C12H10BrNO2 — CID 82184197

IUPAC2-bromo-6-ethylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(Br)cc(C(=O)O)c2c1
InChIInChI=1S/C12H10BrNO2/c1-2-7-3-4-10-8(5-7)9(12(15)16)6-11(13)14-10/h3-6H,2H2,1H3,(H,15,16)
InChIKeyRAIMZXZMNPRVOY-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.26
Rot. Bonds2

About 2-bromo-6-ethylquinoline-4-carboxylic acid

2-bromo-6-ethylquinoline-4-carboxylic acid (PubChem CID 82184197) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-bromo-6-ethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-ethylquinoline-4-carboxylic acid
PubChem CID82184197
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name2-bromo-6-ethylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(Br)cc(C(=O)O)c2c1
InChIInChI=1S/C12H10BrNO2/c1-2-7-3-4-10-8(5-7)9(12(15)16)6-11(13)14-10/h3-6H,2H2,1H3,(H,15,16)
InChIKeyRAIMZXZMNPRVOY-UHFFFAOYSA-N
XLogP3.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.26
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-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
2-bromo-6-ethyl-4-methylquinoline
CID 82580979
6-ethylquinoline-4-carboxylic acid
CID 83527113
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641479
1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
CID 82448312
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethylquinoline-4-carboxylic acid?
The IUPAC name of 2-bromo-6-ethylquinoline-4-carboxylic acid (CID 82184197) is 2-bromo-6-ethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-bromo-6-ethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-bromo-6-ethylquinoline-4-carboxylic acid is CCc1ccc2nc(Br)cc(C(=O)O)c2c1.
What is the InChIKey of 2-bromo-6-ethylquinoline-4-carboxylic acid?
The InChIKey is RAIMZXZMNPRVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-2-7-3-4-10-8(5-7)9(12(15)16)6-11(13)14-10/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 2-bromo-6-ethylquinoline-4-carboxylic acid?
2-bromo-6-ethylquinoline-4-carboxylic acid has a molecular weight of 280.12 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethylquinoline-4-carboxylic acid is sourced from PubChem (CID 82184197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).