8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid

C11H7ClFNO3 — CID 107531464

IUPAC8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C11H7ClFNO3/c1-17-8-4-7(11(15)16)14-10-5(12)2-3-6(13)9(8)10/h2-4H,1H3,(H,15,16)
InChIKeyPJHFYOLGBSNXET-UHFFFAOYSA-N
MW255.63 g/mol
LogP2.73
Rot. Bonds2

About 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid

8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid (PubChem CID 107531464) has the molecular formula C11H7ClFNO3 and a molecular weight of 255.63 g/mol. Its IUPAC name is 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
PubChem CID107531464
Molecular FormulaC11H7ClFNO3
Molecular Weight255.63 g/mol
Exact Mass255.01
IUPAC Name8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C11H7ClFNO3/c1-17-8-4-7(11(15)16)14-10-5(12)2-3-6(13)9(8)10/h2-4H,1H3,(H,15,16)
InChIKeyPJHFYOLGBSNXET-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid (CID 107531464) is 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2c(Cl)ccc(F)c12.
What is the InChIKey of 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid?
The InChIKey is PJHFYOLGBSNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3/c1-17-8-4-7(11(15)16)14-10-5(12)2-3-6(13)9(8)10/h2-4H,1H3,(H,15,16).
What are the key properties of 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid?
8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid has a molecular weight of 255.63 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 107531464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).