3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid

C14H12FNO2 — CID 164527790

IUPAC3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid
SMILESCCc1ccncc1-c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C14H12FNO2/c1-2-9-3-4-16-8-13(9)10-5-11(14(17)18)7-12(15)6-10/h3-8H,2H2,1H3,(H,17,18)
InChIKeyZOVHAPLPFTVNKZ-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.15
Rot. Bonds3

About 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid

3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid (PubChem CID 164527790) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid
PubChem CID164527790
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid
SMILESCCc1ccncc1-c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C14H12FNO2/c1-2-9-3-4-16-8-13(9)10-5-11(14(17)18)7-12(15)6-10/h3-8H,2H2,1H3,(H,17,18)
InChIKeyZOVHAPLPFTVNKZ-UHFFFAOYSA-N
XLogP3.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylfuran-3-yl)-5-fluorobenzoic acid
CID 164526975
3-(3-ethylimidazol-4-yl)-5-fluorobenzoic acid
CID 164526864
3-fluoro-5-(6-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 106522847
5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
CID 53223804
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid
CID 164527581
5-(2-ethylphenyl)pyridine-3-carboxylic acid
CID 56715011
3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid
CID 53445805
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
3-[4-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CID 70699869
3-(3-ethyltriazol-4-yl)-5-fluorobenzoic acid
CID 164526906

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid?
The IUPAC name of 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid (CID 164527790) is 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid.
What is the SMILES notation for 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid?
The canonical SMILES for 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid is CCc1ccncc1-c1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid?
The InChIKey is ZOVHAPLPFTVNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-2-9-3-4-16-8-13(9)10-5-11(14(17)18)7-12(15)6-10/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid?
3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid has a molecular weight of 245.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid is sourced from PubChem (CID 164527790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).