6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide

C14H9FN2O3 — CID 70690403

IUPAC6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc3cc(O)ccc3o2)c(F)n1
InChIInChI=1S/C14H9FN2O3/c15-13-9(2-3-10(17-13)14(16)19)12-6-7-5-8(18)1-4-11(7)20-12/h1-6,18H,(H2,16,19)
InChIKeyDOVGTUGYDAXFKR-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.44
Rot. Bonds2

About 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide

6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide (PubChem CID 70690403) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide
PubChem CID70690403
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc3cc(O)ccc3o2)c(F)n1
InChIInChI=1S/C14H9FN2O3/c15-13-9(2-3-10(17-13)14(16)19)12-6-7-5-8(18)1-4-11(7)20-12/h1-6,18H,(H2,16,19)
InChIKeyDOVGTUGYDAXFKR-UHFFFAOYSA-N
XLogP2.44
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide (CID 70690403) is 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide is NC(=O)c1ccc(-c2cc3cc(O)ccc3o2)c(F)n1.
What is the InChIKey of 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
The InChIKey is DOVGTUGYDAXFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-13-9(2-3-10(17-13)14(16)19)12-6-7-5-8(18)1-4-11(7)20-12/h1-6,18H,(H2,16,19).
What are the key properties of 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide has a molecular weight of 272.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(5-hydroxy-1-benzofuran-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 70690403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).