2-fluoro-4-isoquinolin-5-ylbenzoic acid

C16H10FNO2 — CID 62811951

IUPAC2-fluoro-4-isoquinolin-5-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccc3cnccc23)cc1F
InChIInChI=1S/C16H10FNO2/c17-15-8-10(4-5-14(15)16(19)20)12-3-1-2-11-9-18-7-6-13(11)12/h1-9H,(H,19,20)
InChIKeyASYCWGVNYNJDHH-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.74
Rot. Bonds2

About 2-fluoro-4-isoquinolin-5-ylbenzoic acid

2-fluoro-4-isoquinolin-5-ylbenzoic acid (PubChem CID 62811951) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-fluoro-4-isoquinolin-5-ylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-isoquinolin-5-ylbenzoic acid
PubChem CID62811951
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name2-fluoro-4-isoquinolin-5-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccc3cnccc23)cc1F
InChIInChI=1S/C16H10FNO2/c17-15-8-10(4-5-14(15)16(19)20)12-3-1-2-11-9-18-7-6-13(11)12/h1-9H,(H,19,20)
InChIKeyASYCWGVNYNJDHH-UHFFFAOYSA-N
XLogP3.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-isoquinolin-5-ylbenzoic acid?
The IUPAC name of 2-fluoro-4-isoquinolin-5-ylbenzoic acid (CID 62811951) is 2-fluoro-4-isoquinolin-5-ylbenzoic acid.
What is the SMILES notation for 2-fluoro-4-isoquinolin-5-ylbenzoic acid?
The canonical SMILES for 2-fluoro-4-isoquinolin-5-ylbenzoic acid is O=C(O)c1ccc(-c2cccc3cnccc23)cc1F.
What is the InChIKey of 2-fluoro-4-isoquinolin-5-ylbenzoic acid?
The InChIKey is ASYCWGVNYNJDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-15-8-10(4-5-14(15)16(19)20)12-3-1-2-11-9-18-7-6-13(11)12/h1-9H,(H,19,20).
What are the key properties of 2-fluoro-4-isoquinolin-5-ylbenzoic acid?
2-fluoro-4-isoquinolin-5-ylbenzoic acid has a molecular weight of 267.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-isoquinolin-5-ylbenzoic acid is sourced from PubChem (CID 62811951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).