2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid

C14H8FNO3 — CID 115113758

IUPAC2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C14H8FNO3/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18)
InChIKeyMIMPOWPPSLHDCH-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.33
Rot. Bonds2

About 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid

2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid (PubChem CID 115113758) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
PubChem CID115113758
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C14H8FNO3/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18)
InChIKeyMIMPOWPPSLHDCH-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 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid (CID 115113758) is 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cccc(F)c3o2)c1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The InChIKey is MIMPOWPPSLHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18).
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic 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 2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115113758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).