3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid

C14H8FNO3 — CID 162519462

IUPAC3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2nccc3occc23)c(F)c1
InChIInChI=1S/C14H8FNO3/c15-11-7-8(14(17)18)1-2-9(11)13-10-4-6-19-12(10)3-5-16-13/h1-7H,(H,17,18)
InChIKeyNRLOERKEZYGQNQ-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.33
Rot. Bonds2

About 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid

3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid (PubChem CID 162519462) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid
PubChem CID162519462
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2nccc3occc23)c(F)c1
InChIInChI=1S/C14H8FNO3/c15-11-7-8(14(17)18)1-2-9(11)13-10-4-6-19-12(10)3-5-16-13/h1-7H,(H,17,18)
InChIKeyNRLOERKEZYGQNQ-UHFFFAOYSA-N
XLogP3.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid?
The IUPAC name of 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid (CID 162519462) is 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid.
What is the SMILES notation for 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid?
The canonical SMILES for 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid is O=C(O)c1ccc(-c2nccc3occc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid?
The InChIKey is NRLOERKEZYGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-11-7-8(14(17)18)1-2-9(11)13-10-4-6-19-12(10)3-5-16-13/h1-7H,(H,17,18).
What are the key properties of 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid?
3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid has a molecular weight of 257.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid is sourced from PubChem (CID 162519462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).