3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid

C19H14FNO2 — CID 68657268

IUPAC3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)cc(-c3ccccc3F)c2)nc1
InChIInChI=1S/C19H14FNO2/c1-12-6-7-18(21-11-12)14-8-13(9-15(10-14)19(22)23)16-4-2-3-5-17(16)20/h2-11H,1H3,(H,22,23)
InChIKeyCHEANLPHHYLSHP-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.56
Rot. Bonds3

About 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid

3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid (PubChem CID 68657268) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
PubChem CID68657268
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)cc(-c3ccccc3F)c2)nc1
InChIInChI=1S/C19H14FNO2/c1-12-6-7-18(21-11-12)14-8-13(9-15(10-14)19(22)23)16-4-2-3-5-17(16)20/h2-11H,1H3,(H,22,23)
InChIKeyCHEANLPHHYLSHP-UHFFFAOYSA-N
XLogP4.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid (CID 68657268) is 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid is Cc1ccc(-c2cc(C(=O)O)cc(-c3ccccc3F)c2)nc1.
What is the InChIKey of 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid?
The InChIKey is CHEANLPHHYLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c1-12-6-7-18(21-11-12)14-8-13(9-15(10-14)19(22)23)16-4-2-3-5-17(16)20/h2-11H,1H3,(H,22,23).
What are the key properties of 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid?
3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid has a molecular weight of 307.32 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 68657268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).