2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid

C17H12FNO2 — CID 81229925

IUPAC2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid
SMILESCc1ccc2cc(-c3ccc(F)c(C(=O)O)c3)ccc2n1
InChIInChI=1S/C17H12FNO2/c1-10-2-3-13-8-11(5-7-16(13)19-10)12-4-6-15(18)14(9-12)17(20)21/h2-9H,1H3,(H,20,21)
InChIKeyRHQXOSKZCZZLNY-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.05
Rot. Bonds2

About 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid

2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid (PubChem CID 81229925) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid
PubChem CID81229925
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid
SMILESCc1ccc2cc(-c3ccc(F)c(C(=O)O)c3)ccc2n1
InChIInChI=1S/C17H12FNO2/c1-10-2-3-13-8-11(5-7-16(13)19-10)12-4-6-15(18)14(9-12)17(20)21/h2-9H,1H3,(H,20,21)
InChIKeyRHQXOSKZCZZLNY-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid?
The IUPAC name of 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid (CID 81229925) is 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid is Cc1ccc2cc(-c3ccc(F)c(C(=O)O)c3)ccc2n1.
What is the InChIKey of 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid?
The InChIKey is RHQXOSKZCZZLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-10-2-3-13-8-11(5-7-16(13)19-10)12-4-6-15(18)14(9-12)17(20)21/h2-9H,1H3,(H,20,21).
What are the key properties of 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid?
2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid has a molecular weight of 281.29 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methylquinolin-6-yl)benzoic acid is sourced from PubChem (CID 81229925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).