4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid

C11H7BrFNO2 — CID 97033444

IUPAC4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(F)cc2c(Br)c(C(=O)O)cnc12
InChIInChI=1S/C11H7BrFNO2/c1-5-2-6(13)3-7-9(12)8(11(15)16)4-14-10(5)7/h2-4H,1H3,(H,15,16)
InChIKeyLLBNYRVXHLXAFL-UHFFFAOYSA-N
MW284.08 g/mol
LogP3.14
Rot. Bonds1

About 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid

4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid (PubChem CID 97033444) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
PubChem CID97033444
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(F)cc2c(Br)c(C(=O)O)cnc12
InChIInChI=1S/C11H7BrFNO2/c1-5-2-6(13)3-7-9(12)8(11(15)16)4-14-10(5)7/h2-4H,1H3,(H,15,16)
InChIKeyLLBNYRVXHLXAFL-UHFFFAOYSA-N
XLogP3.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid (CID 97033444) is 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid is Cc1cc(F)cc2c(Br)c(C(=O)O)cnc12.
What is the InChIKey of 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid?
The InChIKey is LLBNYRVXHLXAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c1-5-2-6(13)3-7-9(12)8(11(15)16)4-14-10(5)7/h2-4H,1H3,(H,15,16).
What are the key properties of 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid?
4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid has a molecular weight of 284.08 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 97033444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).