5-fluoro-2-quinolin-7-ylbenzoic acid

C16H10FNO2 — CID 81223879

IUPAC5-fluoro-2-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc2cccnc2c1
InChIInChI=1S/C16H10FNO2/c17-12-5-6-13(14(9-12)16(19)20)11-4-3-10-2-1-7-18-15(10)8-11/h1-9H,(H,19,20)
InChIKeyIICMPGYGTVPLTR-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.74
Rot. Bonds2

About 5-fluoro-2-quinolin-7-ylbenzoic acid

5-fluoro-2-quinolin-7-ylbenzoic acid (PubChem CID 81223879) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-fluoro-2-quinolin-7-ylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-quinolin-7-ylbenzoic acid
PubChem CID81223879
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name5-fluoro-2-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc2cccnc2c1
InChIInChI=1S/C16H10FNO2/c17-12-5-6-13(14(9-12)16(19)20)11-4-3-10-2-1-7-18-15(10)8-11/h1-9H,(H,19,20)
InChIKeyIICMPGYGTVPLTR-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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Related Compounds

5-fluoro-2-quinolin-6-ylbenzoic acid
CID 81224039
5-fluoro-2-quinolin-7-ylaniline
CID 107626733
4-quinolin-7-ylbenzoic acid
CID 81224662
1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid
CID 153386364
7-fluoroquinoline-6-carboxylic acid
CID 77174821
6-fluoroquinoline-7-carboxylic acid
CID 175475921
4-methyl-3-quinolin-7-ylbenzoic acid
CID 81475808
3-quinolin-7-ylbenzoic acid
CID 81224892
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-quinolin-7-ylbenzoic acid?
The IUPAC name of 5-fluoro-2-quinolin-7-ylbenzoic acid (CID 81223879) is 5-fluoro-2-quinolin-7-ylbenzoic acid.
What is the SMILES notation for 5-fluoro-2-quinolin-7-ylbenzoic acid?
The canonical SMILES for 5-fluoro-2-quinolin-7-ylbenzoic acid is O=C(O)c1cc(F)ccc1-c1ccc2cccnc2c1.
What is the InChIKey of 5-fluoro-2-quinolin-7-ylbenzoic acid?
The InChIKey is IICMPGYGTVPLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-12-5-6-13(14(9-12)16(19)20)11-4-3-10-2-1-7-18-15(10)8-11/h1-9H,(H,19,20).
What are the key properties of 5-fluoro-2-quinolin-7-ylbenzoic acid?
5-fluoro-2-quinolin-7-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 5-fluoro-2-quinolin-7-ylbenzoic acid is sourced from PubChem (CID 81223879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).