5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid

C14H12FNO3 — CID 113281429

IUPAC5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCCc1ccncc1
InChIInChI=1S/C14H12FNO3/c15-11-1-2-13(12(9-11)14(17)18)19-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2,(H,17,18)
InChIKeyIJNDMMXAAFCDSM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.54
Rot. Bonds5

About 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid

5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid (PubChem CID 113281429) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
PubChem CID113281429
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCCc1ccncc1
InChIInChI=1S/C14H12FNO3/c15-11-1-2-13(12(9-11)14(17)18)19-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2,(H,17,18)
InChIKeyIJNDMMXAAFCDSM-UHFFFAOYSA-N
XLogP2.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 113281443
5-fluoro-2-[2-(4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 115297843
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-fluoro-2-pent-3-ynoxybenzoic acid
CID 104804139
5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 114289592
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
2-[4-(diethylamino)-4-oxobutoxy]-5-fluorobenzoic acid
CID 115298048

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid?
The IUPAC name of 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid (CID 113281429) is 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid is O=C(O)c1cc(F)ccc1OCCc1ccncc1.
What is the InChIKey of 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid?
The InChIKey is IJNDMMXAAFCDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-1-2-13(12(9-11)14(17)18)19-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2,(H,17,18).
What are the key properties of 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid?
5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid has a molecular weight of 261.25 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid is sourced from PubChem (CID 113281429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).