4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid

C11H7ClFNO2 — CID 79046961

IUPAC4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid
SMILESCc1cc(F)cc2nc(C(=O)O)cc(Cl)c12
InChIInChI=1S/C11H7ClFNO2/c1-5-2-6(13)3-8-10(5)7(12)4-9(14-8)11(15)16/h2-4H,1H3,(H,15,16)
InChIKeyYFVKRZGXDWMZGK-UHFFFAOYSA-N
MW239.63 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid

4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid (PubChem CID 79046961) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid
PubChem CID79046961
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid
SMILESCc1cc(F)cc2nc(C(=O)O)cc(Cl)c12
InChIInChI=1S/C11H7ClFNO2/c1-5-2-6(13)3-8-10(5)7(12)4-9(14-8)11(15)16/h2-4H,1H3,(H,15,16)
InChIKeyYFVKRZGXDWMZGK-UHFFFAOYSA-N
XLogP3.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid?
The IUPAC name of 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid (CID 79046961) is 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid?
The canonical SMILES for 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid is Cc1cc(F)cc2nc(C(=O)O)cc(Cl)c12.
What is the InChIKey of 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid?
The InChIKey is YFVKRZGXDWMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c1-5-2-6(13)3-8-10(5)7(12)4-9(14-8)11(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid?
4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid has a molecular weight of 239.63 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 79046961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).