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

C14H12FNO3 — CID 29006324

IUPAC3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCc2ccccn2)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-12-9-10(14(17)18)4-5-13(12)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2,(H,17,18)
InChIKeyCWFUCMZDNOTEDE-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.54
Rot. Bonds5

About 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid

3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid (PubChem CID 29006324) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
PubChem CID29006324
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCc2ccccn2)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-12-9-10(14(17)18)4-5-13(12)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2,(H,17,18)
InChIKeyCWFUCMZDNOTEDE-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

3-bromo-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 63052810
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
CID 107957284
3-fluoro-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzoic acid
CID 63069441
3-fluoro-4-(pyridin-2-ylmethylsulfonyl)benzoic acid
CID 79186723
3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
CID 29006281
3-fluoro-4-octoxybenzoic acid;hydrochloride
CID 70117838
3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid
CID 177288276

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid?
The IUPAC name of 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid (CID 29006324) is 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid?
The canonical SMILES for 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid is O=C(O)c1ccc(OCCc2ccccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid?
The InChIKey is CWFUCMZDNOTEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-12-9-10(14(17)18)4-5-13(12)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2,(H,17,18).
What are the key properties of 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid?
3-fluoro-4-(2-pyridin-2-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 3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid is sourced from PubChem (CID 29006324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).